Database
stringclasses 1
value | Material ID
stringlengths 12
16
| Reduced Formula
stringclasses 1
value | CIF
stringlengths 761
1.7k
|
|---|---|---|---|
Carbon-24 | C-136241-2721-35 | C | data_[C20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1979]
_cell_length_b [2.4519]
_cell_length_c [9.3720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C20]'
_cell_volume [140.8797]
_cell_formula_units_Z [20]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.1056 0.5000 0.4776 1.0
C C1 4 0.1813 0.0000 0.4071 1.0
C C2 4 0.1896 0.0000 0.2527 1.0
C C3 4 0.2063 0.5000 0.1822 1.0
C C4 4 0.2410 0.5000 0.0351 1.0
] |
Carbon-24 | C-73621-2756-20 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5951]
_cell_length_b [2.4008]
_cell_length_c [2.5322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [100.8051]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0435 0.5000 0.4865 1.0
C C1 4 0.0856 0.0000 0.4742 1.0
C C2 4 0.1706 0.0000 0.4787 1.0
C C3 4 0.2214 0.0000 0.9919 1.0
] |
Carbon-24 | C-96686-8751-11 | C | data_[C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [2.4824]
_cell_length_b [3.8439]
_cell_length_c [3.7433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [C]
_chemical_formula_sum '[C6]'
_cell_volume [35.7179]
_cell_formula_units_Z [6]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.2500 0.2945 0.8820 1.0
C C1 2 0.2500 0.0000 0.6144 1.0
] |
Carbon-24 | C-134183-9440-35 | C | data_[C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.6236]
_cell_length_b [3.6354]
_cell_length_c [3.9009]
_cell_angle_alpha [92.6104]
_cell_angle_beta [100.4207]
_cell_angle_gamma [116.8753]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [C]
_chemical_formula_sum '[C6]'
_cell_volume [44.6048]
_cell_formula_units_Z [6]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.1572 0.0786 0.6533 1.0
C C1 2 0.3461 0.4820 0.8455 1.0
C C2 2 0.3475 0.8649 0.8449 1.0
] |
Carbon-24 | C-141037-8469-9 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7232]
_cell_length_b [7.6431]
_cell_length_c [2.4739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [70.3993]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.2041 0.1943 0.2500 1.0
C C1 4 0.0000 0.4446 0.7500 1.0
] |
Carbon-24 | C-176663-4376-5 | C | data_[C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.2045]
_cell_length_b [2.4253]
_cell_length_c [2.9778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C4]'
_cell_volume [27.3793]
_cell_formula_units_Z [4]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.1661 0.5000 0.4971 1.0
] |
Carbon-24 | C-57120-3338-50 | C | data_[C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.4720]
_cell_length_b [2.4720]
_cell_length_c [4.1179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [C]
_chemical_formula_sum '[C4]'
_cell_volume [21.7925]
_cell_formula_units_Z [4]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.3333 0.6667 0.5625 1.0
] |
Carbon-24 | C-130536-5861-12 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9462]
_cell_length_b [2.4814]
_cell_length_c [4.2192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9152]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [69.9374]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0151 0.5000 0.6822 1.0
C C1 4 0.0631 0.0000 0.1870 1.0
C C2 4 0.2382 0.5000 0.8888 1.0
] |
Carbon-24 | C-91032-4468-47 | C | data_[C18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.3786]
_cell_length_b [5.7379]
_cell_length_c [6.0952]
_cell_angle_alpha [100.5201]
_cell_angle_beta [93.9484]
_cell_angle_gamma [103.6433]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [C]
_chemical_formula_sum '[C18]'
_cell_volume [112.1207]
_cell_formula_units_Z [18]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.0574 0.1597 0.1539 1.0
C C1 2 0.0865 0.1646 0.4095 1.0
C C2 2 0.1152 0.3976 0.8702 1.0
C C3 2 0.1527 0.4111 0.1162 1.0
C C4 2 0.2694 0.8042 0.2151 1.0
C C5 2 0.2790 0.9537 0.4459 1.0
C C6 2 0.2997 0.9679 0.0391 1.0
C C7 2 0.3941 0.4017 0.5347 1.0
C C8 2 0.4876 0.3925 0.7682 1.0
] |
Carbon-24 | C-41318-6901-35 | C | data_[C14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.4747]
_cell_length_b [5.6965]
_cell_length_c [6.2751]
_cell_angle_alpha [113.3963]
_cell_angle_beta [96.7274]
_cell_angle_gamma [92.3331]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [C]
_chemical_formula_sum '[C14]'
_cell_volume [80.2586]
_cell_formula_units_Z [14]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 1 0.1237 0.3304 0.1594 1.0
C C1 1 0.2793 0.6324 0.3210 1.0
C C2 1 0.3243 0.1838 0.5391 1.0
C C3 1 0.3634 0.6639 0.5689 1.0
C C4 1 0.3795 0.8943 0.7557 1.0
C C5 1 0.3848 0.4725 0.6691 1.0
C C6 1 0.3984 0.1442 0.7631 1.0
C C7 1 0.4567 0.9120 0.9955 1.0
C C8 1 0.6254 0.1812 0.1888 1.0
C C9 1 0.7697 0.0822 0.3937 1.0
C C10 1 0.8103 0.7709 0.2687 1.0
C C11 1 0.9242 0.7695 0.0269 1.0
C C12 1 0.9295 0.5154 0.8301 1.0
C C13 1 0.9678 0.2904 0.8975 1.0
] |
Carbon-24 | C-184058-8674-36 | C | data_[C10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6653]
_cell_length_b [2.5234]
_cell_length_c [4.9683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [C]
_chemical_formula_sum '[C10]'
_cell_volume [58.1591]
_cell_formula_units_Z [10]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.0716 0.0000 0.3933 1.0
C C1 2 0.0966 0.0000 0.8869 1.0
C C2 2 0.2759 0.5000 0.9257 1.0
C C3 2 0.3955 0.0000 0.3709 1.0
C C4 2 0.4467 0.5000 0.2091 1.0
] |
Carbon-24 | C-145333-1039-35 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.0489]
_cell_length_b [2.4570]
_cell_length_c [7.3922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1754]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [104.3840]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 1 0.0054 0.5000 0.3530 1.0
C C1 1 0.0560 0.0000 0.4458 1.0
C C2 1 0.1205 0.0000 0.8146 1.0
C C3 1 0.2174 0.0000 0.6425 1.0
C C4 1 0.2289 0.5000 0.9257 1.0
C C5 1 0.2329 0.5000 0.1316 1.0
C C6 1 0.3413 0.0000 0.2308 1.0
C C7 1 0.3685 0.5000 0.6735 1.0
C C8 1 0.4646 0.0000 0.4158 1.0
C C9 1 0.4763 0.5000 0.8959 1.0
C C10 1 0.5186 0.5000 0.5339 1.0
C C11 1 0.6069 0.0000 0.9668 1.0
C C12 1 0.7634 0.5000 0.6600 1.0
C C13 1 0.8317 0.0000 0.0677 1.0
C C14 1 0.8676 0.0000 0.7212 1.0
C C15 1 0.9596 0.5000 0.1441 1.0
] |
Carbon-24 | C-126171-2991-1 | C | data_[C14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.4543]
_cell_length_b [4.6569]
_cell_length_c [7.0742]
_cell_angle_alpha [89.4885]
_cell_angle_beta [87.3357]
_cell_angle_gamma [88.5954]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [C]
_chemical_formula_sum '[C14]'
_cell_volume [80.7379]
_cell_formula_units_Z [14]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 1 0.1013 0.8013 0.9708 1.0
C C1 1 0.1361 0.6708 0.7738 1.0
C C2 1 0.1436 0.1273 0.9516 1.0
C C3 1 0.1727 0.8887 0.6105 1.0
C C4 1 0.1909 0.2386 0.1589 1.0
C C5 1 0.2116 0.7539 0.4153 1.0
C C6 1 0.3394 0.9428 0.2500 1.0
C C7 1 0.5764 0.7307 0.0912 1.0
C C8 1 0.6469 0.4931 0.7461 1.0
C C9 1 0.6496 0.2024 0.8416 1.0
C C10 1 0.6689 0.0667 0.6385 1.0
C C11 1 0.6703 0.4294 0.1971 1.0
C C12 1 0.6808 0.3592 0.5587 1.0
C C13 1 0.6969 0.5470 0.3970 1.0
] |
Carbon-24 | C-47640-4572-49 | C | data_[C24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7000]
_cell_length_b [2.4428]
_cell_length_c [6.3153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C24]'
_cell_volume [157.7534]
_cell_formula_units_Z [24]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0580 0.5000 0.6093 1.0
C C1 4 0.0642 0.0000 0.0671 1.0
C C2 4 0.1148 0.0000 0.7115 1.0
C C3 4 0.1478 0.5000 0.1654 1.0
C C4 4 0.2332 0.5000 0.4432 1.0
C C5 4 0.2434 0.0000 0.9276 1.0
] |
Carbon-24 | C-13663-1651-44 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [3.3555]
_cell_length_b [8.3275]
_cell_length_c [2.4604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [66.5675]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.1366 0.3307 0.0406 1.0
C C1 4 0.0000 0.0528 0.7500 1.0
] |
Carbon-24 | C-73615-2489-2 | C | data_[C24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1094]
_cell_length_b [2.4836]
_cell_length_c [6.6877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C24]'
_cell_volume [134.8004]
_cell_formula_units_Z [24]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0157 0.5000 0.3989 1.0
C C1 4 0.0486 0.0000 0.7494 1.0
C C2 4 0.0513 0.0000 0.1205 1.0
C C3 4 0.1569 0.5000 0.1910 1.0
C C4 4 0.2040 0.5000 0.4416 1.0
C C5 4 0.2305 0.0000 0.9220 1.0
] |
Carbon-24 | C-193958-6227-15 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9471]
_cell_length_b [2.4813]
_cell_length_c [4.2185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [69.9542]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0168 0.5000 0.6824 1.0
C C1 4 0.0616 0.0000 0.1867 1.0
C C2 4 0.2402 0.5000 0.8889 1.0
] |
Carbon-24 | C-141024-202-41 | C | data_[C28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7669]
_cell_length_b [2.4615]
_cell_length_c [8.7942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [C]
_chemical_formula_sum '[C28]'
_cell_volume [164.9396]
_cell_formula_units_Z [28]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.0319 0.0000 0.0571 1.0
C C1 2 0.0464 0.5000 0.8063 1.0
C C2 2 0.1395 0.0000 0.2540 1.0
C C3 2 0.1562 0.5000 0.5500 1.0
C C4 2 0.1580 0.0000 0.6489 1.0
C C5 2 0.2407 0.5000 0.9049 1.0
C C6 2 0.2916 0.0000 0.8393 1.0
C C7 2 0.3165 0.0000 0.4119 1.0
C C8 2 0.3212 0.5000 0.5198 1.0
C C9 2 0.3774 0.5000 0.0876 1.0
C C10 2 0.4764 0.0000 0.3797 1.0
C C11 2 0.4802 0.5000 0.2809 1.0
C C12 2 0.4895 0.0000 0.9376 1.0
C C13 2 0.4988 0.5000 0.6884 1.0
] |
Carbon-24 | C-9630-678-28 | C | data_[C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [3.5168]
_cell_length_b [3.5168]
_cell_length_c [3.5168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [C]
_chemical_formula_sum '[C8]'
_cell_volume [43.4937]
_cell_formula_units_Z [8]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.0000 0.0000 0.5000 1.0
] |
Carbon-24 | C-40110-5594-35 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7208]
_cell_length_b [7.6390]
_cell_length_c [2.4753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [70.3556]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.2041 0.1943 0.7500 1.0
C C1 4 0.0000 0.4447 0.2500 1.0
] |
Carbon-24 | C-34611-1398-68 | C | data_[C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [3.5163]
_cell_length_b [3.5163]
_cell_length_c [3.5163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [C]
_chemical_formula_sum '[C8]'
_cell_volume [43.4758]
_cell_formula_units_Z [8]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.0000 0.0000 0.5000 1.0
] |
Carbon-24 | C-13946-920-9 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9176]
_cell_length_b [3.6257]
_cell_length_c [2.8004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [89.3997]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.1731 0.1908 0.9993 1.0
C C1 4 0.0773 0.5000 0.9998 1.0
] |
Carbon-24 | C-28222-3619-29 | C | data_[C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.5482]
_cell_length_b [2.4406]
_cell_length_c [6.4189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [C]
_chemical_formula_sum '[C6]'
_cell_volume [39.5076]
_cell_formula_units_Z [6]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.0650 0.5000 0.1106 1.0
C C1 2 0.1292 0.0000 0.2182 1.0
C C2 2 0.2315 0.0000 0.4481 1.0
] |
Carbon-24 | C-57140-5474-30 | C | data_[C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [4.2062]
_cell_length_b [2.4315]
_cell_length_c [5.7789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [C]
_chemical_formula_sum '[C8]'
_cell_volume [57.1022]
_cell_formula_units_Z [8]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.1672 0.2218 0.2509 1.0
] |
Carbon-24 | C-137393-2973-40 | C | data_[C20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.5324]
_cell_length_b [4.4095]
_cell_length_c [10.9030]
_cell_angle_alpha [91.2851]
_cell_angle_beta [96.4921]
_cell_angle_gamma [91.2264]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [C]
_chemical_formula_sum '[C20]'
_cell_volume [120.9020]
_cell_formula_units_Z [20]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 1 0.1030 0.3190 0.9171 1.0
C C1 1 0.1506 0.8041 0.9087 1.0
C C2 1 0.1704 0.0601 0.9935 1.0
C C3 1 0.1708 0.5765 0.0046 1.0
C C4 1 0.1758 0.6170 0.6510 1.0
C C5 1 0.3265 0.2892 0.6973 1.0
C C6 1 0.5451 0.3742 0.8384 1.0
C C7 1 0.6288 0.7301 0.8373 1.0
C C8 1 0.6917 0.7842 0.7048 1.0
C C9 1 0.7097 0.6486 0.0787 1.0
C C10 1 0.7117 0.0095 0.0739 1.0
C C11 1 0.7682 0.4972 0.1977 1.0
C C12 1 0.7731 0.1773 0.1953 1.0
C C13 1 0.7950 0.1067 0.6563 1.0
C C14 1 0.8203 0.6806 0.3045 1.0
C C15 1 0.8237 0.0082 0.3038 1.0
C C16 1 0.8629 0.1882 0.4179 1.0
C C17 1 0.8641 0.0130 0.5237 1.0
C C18 1 0.8969 0.5132 0.4173 1.0
C C19 1 0.9908 0.6992 0.5221 1.0
] |
Carbon-24 | C-80144-1745-7 | C | data_[C32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [2.5497]
_cell_length_b [6.8441]
_cell_length_c [10.7919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [C]
_chemical_formula_sum '[C32]'
_cell_volume [188.3224]
_cell_formula_units_Z [32]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 16 0.0000 0.1845 0.1245 1.0
C C1 8 0.0000 0.0000 0.2099 1.0
C C2 8 0.0000 0.0944 0.0000 1.0
] |
Carbon-24 | C-41312-2882-19 | C | data_[C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.5320]
_cell_length_b [2.4571]
_cell_length_c [6.4329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [C]
_chemical_formula_sum '[C6]'
_cell_volume [39.5266]
_cell_formula_units_Z [6]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.2671 0.5000 0.5519 1.0
C C1 2 0.3770 0.5000 0.7826 1.0
C C2 2 0.4353 0.0000 0.8893 1.0
] |
Carbon-24 | C-126167-1633-8 | C | data_[C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.5828]
_cell_length_b [3.6406]
_cell_length_c [3.7249]
_cell_angle_alpha [106.2607]
_cell_angle_beta [97.5876]
_cell_angle_gamma [102.3361]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [C]
_chemical_formula_sum '[C6]'
_cell_volume [44.6020]
_cell_formula_units_Z [6]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.1541 0.1371 0.6542 1.0
C C1 2 0.1546 0.5164 0.6531 1.0
C C2 2 0.3456 0.9232 0.8468 1.0
] |
Carbon-24 | C-126183-8981-47 | C | data_[C14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.9852]
_cell_length_b [4.6239]
_cell_length_c [4.7617]
_cell_angle_alpha [79.0913]
_cell_angle_beta [73.9017]
_cell_angle_gamma [71.2993]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [C]
_chemical_formula_sum '[C14]'
_cell_volume [79.3650]
_cell_formula_units_Z [14]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 1 0.1132 0.6683 0.7896 1.0
C C1 1 0.2361 0.7642 0.2531 1.0
C C2 1 0.2942 0.1973 0.5479 1.0
C C3 1 0.3687 0.5118 0.4806 1.0
C C4 1 0.3768 0.7194 0.9280 1.0
C C5 1 0.3887 0.2094 0.0268 1.0
C C6 1 0.4430 0.0051 0.2936 1.0
C C7 1 0.4604 0.0115 0.7976 1.0
C C8 1 0.6768 0.3933 0.9090 1.0
C C9 1 0.7726 0.4948 0.3824 1.0
C C10 1 0.8259 0.8177 0.3704 1.0
C C11 1 0.8387 0.9343 0.6514 1.0
C C12 1 0.9036 0.2559 0.6147 1.0
C C13 1 0.9685 0.4238 0.0479 1.0
] |
Carbon-24 | C-176656-6648-50 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9454]
_cell_length_b [2.4814]
_cell_length_c [4.2199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [69.9684]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0172 0.0000 0.6826 1.0
C C1 4 0.0611 0.5000 0.1865 1.0
C C2 4 0.2402 0.0000 0.8891 1.0
] |
Carbon-24 | C-126159-6870-22 | C | data_[C10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.6815]
_cell_length_b [2.4723]
_cell_length_c [7.4364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [C]
_chemical_formula_sum '[C10]'
_cell_volume [67.5793]
_cell_formula_units_Z [10]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.0411 0.2500 0.9454 1.0
C C1 2 0.0511 0.2500 0.4591 1.0
C C2 2 0.2353 0.2500 0.3071 1.0
C C3 2 0.2735 0.7500 0.2037 1.0
C C4 2 0.4475 0.2500 0.9424 1.0
] |
Carbon-24 | C-136219-6599-12 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7508]
_cell_length_b [2.4493]
_cell_length_c [3.9634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [84.7956]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0324 0.5000 0.8506 1.0
C C1 4 0.0621 0.0000 0.6695 1.0
C C2 4 0.2162 0.0000 0.5327 1.0
] |
Carbon-24 | C-136214-3679-48 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [4.3030]
_cell_length_b [4.3030]
_cell_length_c [4.3030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [79.6721]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 12 0.0000 0.2500 0.5000 1.0
] |
Carbon-24 | C-13651-5621-26 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [2.5092]
_cell_length_b [2.5092]
_cell_length_c [15.4087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [97.0146]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0000 0.0000 0.1098 1.0
C C1 4 0.0000 0.0000 0.1954 1.0
C C2 4 0.0000 0.5000 0.5583 1.0
C C3 2 0.0000 0.0000 0.5000 1.0
C C4 2 0.0000 0.5000 0.7500 1.0
] |
Carbon-24 | C-102899-3014-19 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.2734]
_cell_length_b [2.4729]
_cell_length_c [8.5293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [87.4026]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.0472 0.7779 0.4586 1.0
C C1 2 0.1011 0.5909 0.0295 1.0
C C2 2 0.1060 0.1423 0.7226 1.0
C C3 2 0.1899 0.5825 0.2109 1.0
C C4 2 0.3080 0.6267 0.7809 1.0
C C5 2 0.3844 0.0673 0.2773 1.0
C C6 2 0.4041 0.6164 0.9676 1.0
C C7 2 0.4118 0.9354 0.4588 1.0
] |
Carbon-24 | C-41312-2882-51 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.5437]
_cell_length_b [6.3873]
_cell_length_c [2.4338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [86.1796]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.2066 0.2853 0.7500 1.0
C C1 4 0.0000 0.4323 0.7500 1.0
] |
Carbon-24 | C-107756-3646-5 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2332]
_cell_length_b [2.4845]
_cell_length_c [5.2226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [92.6248]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0274 0.5000 0.6435 1.0
C C1 4 0.1003 0.0000 0.0286 1.0
C C2 4 0.1374 0.0000 0.7489 1.0
C C3 4 0.1475 0.5000 0.1936 1.0
] |
Carbon-24 | C-57109-5472-29 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0204]
_cell_length_b [2.4845]
_cell_length_c [4.0837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [90.8556]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0571 0.5000 0.3791 1.0
C C1 4 0.0580 0.0000 0.1533 1.0
C C2 4 0.2136 0.5000 0.5593 1.0
C C3 4 0.2284 0.0000 0.0849 1.0
] |
Carbon-24 | C-152605-7685-40 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.9850]
_cell_length_b [5.9264]
_cell_length_c [2.4254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [86.0261]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.2043 0.2177 0.2500 1.0
C C1 4 0.0000 0.0748 0.2500 1.0
] |
Carbon-24 | C-41290-3170-47 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4013]
_cell_length_b [3.6772]
_cell_length_c [2.6088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [78.1240]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.1696 0.1875 0.4063 1.0
C C1 4 0.0532 0.5000 0.2914 1.0
] |
Carbon-24 | C-189705-3285-29 | C | data_[C20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8512]
_cell_length_b [2.4369]
_cell_length_c [4.2389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C20]'
_cell_volume [131.9450]
_cell_formula_units_Z [20]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0604 0.0000 0.5285 1.0
C C1 4 0.0926 0.0000 0.8766 1.0
C C2 4 0.1016 0.5000 0.0356 1.0
C C3 4 0.1101 0.5000 0.3895 1.0
C C4 4 0.2226 0.5000 0.4810 1.0
] |
Carbon-24 | C-40140-2962-15 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.9758]
_cell_length_b [4.2406]
_cell_length_c [3.6307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [72.3651]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.1068 0.3196 0.3818 1.0
C C1 4 0.0000 0.1583 0.0000 1.0
] |
Carbon-24 | C-136212-1087-2 | C | data_[C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [2.4818]
_cell_length_b [3.8472]
_cell_length_c [3.7403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [C]
_chemical_formula_sum '[C6]'
_cell_volume [35.7135]
_cell_formula_units_Z [6]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.2500 0.2055 0.6178 1.0
C C1 2 0.2500 0.5000 0.8852 1.0
] |
Carbon-24 | C-172941-6659-15 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [3.3554]
_cell_length_b [8.3242]
_cell_length_c [2.4613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [66.5740]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.1367 0.3303 0.0406 1.0
C C1 4 0.0000 0.0526 0.7500 1.0
] |
Carbon-24 | C-72732-3061-23 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9501]
_cell_length_b [2.4789]
_cell_length_c [4.2193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [69.9398]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0176 0.5000 0.1824 1.0
C C1 4 0.0611 0.0000 0.6866 1.0
C C2 4 0.2401 0.5000 0.3888 1.0
] |
Carbon-24 | C-176685-9184-8 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.9807]
_cell_length_b [4.2431]
_cell_length_c [3.6292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [72.4348]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.1065 0.1809 0.8815 1.0
C C1 4 0.0000 0.3425 0.5000 1.0
] |
Carbon-24 | C-41304-5896-26 | C | data_[C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.2004]
_cell_length_b [2.4274]
_cell_length_c [3.3293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C4]'
_cell_volume [28.4001]
_cell_formula_units_Z [4]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.1664 0.0000 0.9988 1.0
] |
Carbon-24 | C-90821-8000-37 | C | data_[C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.2049]
_cell_length_b [2.4256]
_cell_length_c [2.9587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C4]'
_cell_volume [29.7012]
_cell_formula_units_Z [4]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.1668 0.0000 0.4996 1.0
] |
Carbon-24 | C-113068-6749-18 | C | data_[C24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.4817]
_cell_length_b [13.1392]
_cell_length_c [4.1394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [C]
_chemical_formula_sum '[C24]'
_cell_volume [134.9773]
_cell_formula_units_Z [24]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0000 0.0555 0.5991 1.0
C C1 4 0.0000 0.0992 0.2702 1.0
C C2 4 0.0000 0.2110 0.3910 1.0
C C3 4 0.0000 0.2892 0.1185 1.0
C C4 4 0.0000 0.4011 0.2511 1.0
C C5 4 0.0000 0.4358 0.5961 1.0
] |
Carbon-24 | C-40138-885-7 | C | data_[C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.2032]
_cell_length_b [2.4295]
_cell_length_c [3.2874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C4]'
_cell_volume [28.5933]
_cell_formula_units_Z [4]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.1662 0.5000 0.4986 1.0
] |
Carbon-24 | C-148242-4178-52 | C | data_[C24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [2.4521]
_cell_length_b [8.1122]
_cell_length_c [7.2507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [C]
_chemical_formula_sum '[C24]'
_cell_volume [144.2283]
_cell_formula_units_Z [24]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0000 0.1600 0.6889 1.0
C C1 4 0.0000 0.1839 0.3127 1.0
C C2 4 0.0000 0.2433 0.5081 1.0
C C3 4 0.5000 0.0940 0.2400 1.0
C C4 4 0.5000 0.1469 0.0322 1.0
C C5 2 0.0000 0.0000 0.7793 1.0
C C6 2 0.5000 0.0000 0.9090 1.0
] |
Carbon-24 | C-142798-9552-10 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9025]
_cell_length_b [2.4569]
_cell_length_c [6.4403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [104.4693]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0025 0.5000 0.1239 1.0
C C1 4 0.1280 0.0000 0.2102 1.0
C C2 4 0.2201 0.5000 0.9270 1.0
C C3 4 0.2254 0.0000 0.4473 1.0
] |
Carbon-24 | C-79899-8009-46 | C | data_[C18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.5679]
_cell_length_b [4.8224]
_cell_length_c [7.7539]
_cell_angle_alpha [89.4697]
_cell_angle_beta [82.9901]
_cell_angle_gamma [68.7582]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [C]
_chemical_formula_sum '[C18]'
_cell_volume [123.3307]
_cell_formula_units_Z [18]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 1 0.2815 0.2528 0.9819 1.0
C C1 1 0.3049 0.9182 0.9887 1.0
C C2 1 0.3862 0.3054 0.1629 1.0
C C3 1 0.4026 0.8177 0.1703 1.0
C C4 1 0.6432 0.4944 0.1524 1.0
C C5 1 0.6760 0.9891 0.1727 1.0
C C6 1 0.6890 0.2195 0.8846 1.0
C C7 1 0.7287 0.7403 0.8880 1.0
C C8 1 0.7780 0.1065 0.7015 1.0
C C9 1 0.7906 0.8143 0.7025 1.0
C C10 1 0.8475 0.2872 0.5627 1.0
C C11 1 0.8506 0.6030 0.5625 1.0
C C12 1 0.8529 0.4352 0.9575 1.0
C C13 1 0.8939 0.9365 0.9792 1.0
C C14 1 0.9406 0.1835 0.3956 1.0
C C15 1 0.9444 0.6591 0.3944 1.0
C C16 1 0.9809 0.4106 0.2784 1.0
C C17 1 0.9964 0.9098 0.2997 1.0
] |
Carbon-24 | C-41300-4225-18 | C | data_[C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.4296]
_cell_length_b [2.4294]
_cell_length_c [8.4745]
_cell_angle_alpha [87.1535]
_cell_angle_beta [86.0370]
_cell_angle_gamma [60.0056]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [C]
_chemical_formula_sum '[C6]'
_cell_volume [43.2113]
_cell_formula_units_Z [6]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 1 0.1308 0.8146 0.7039 1.0
C C1 1 0.2270 0.3457 0.3701 1.0
C C2 1 0.4637 0.1475 0.7038 1.0
C C3 1 0.5595 0.6801 0.3696 1.0
C C4 1 0.6495 0.7497 0.0392 1.0
C C5 1 0.9835 0.0823 0.0388 1.0
] |
Carbon-24 | C-92116-7433-18 | C | data_[C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.7006]
_cell_length_b [3.6487]
_cell_length_c [4.8131]
_cell_angle_alpha [112.1185]
_cell_angle_beta [92.2183]
_cell_angle_gamma [99.0715]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [C]
_chemical_formula_sum '[C6]'
_cell_volume [43.1384]
_cell_formula_units_Z [6]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.4968 0.8639 0.3454 1.0
C C1 2 0.4974 0.4811 0.3462 1.0
C C2 2 0.4996 0.0773 0.1550 1.0
] |
Carbon-24 | C-148230-2113-7 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3810]
_cell_length_b [2.4388]
_cell_length_c [5.7709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [143.8785]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0638 0.0000 0.5776 1.0
C C1 4 0.1424 0.5000 0.6535 1.0
C C2 4 0.2263 0.5000 0.9425 1.0
C C3 4 0.2295 0.5000 0.5202 1.0
] |
Carbon-24 | C-53838-1497-38 | C | data_[C10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.3107]
_cell_length_b [3.3988]
_cell_length_c [5.3363]
_cell_angle_alpha [98.8924]
_cell_angle_beta [98.3743]
_cell_angle_gamma [92.5902]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [C]
_chemical_formula_sum '[C10]'
_cell_volume [58.5497]
_cell_formula_units_Z [10]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 1 0.0294 0.7352 0.0545 1.0
C C1 1 0.1378 0.8077 0.7922 1.0
C C2 1 0.2644 0.4358 0.6358 1.0
C C3 1 0.3411 0.4789 0.1925 1.0
C C4 1 0.4728 0.1410 0.7856 1.0
C C5 1 0.5569 0.5488 0.4671 1.0
C C6 1 0.6760 0.3736 0.0376 1.0
C C7 1 0.7631 0.9306 0.6173 1.0
C C8 1 0.8899 0.2375 0.4658 1.0
C C9 1 0.9829 0.1478 0.1923 1.0
] |
Carbon-24 | C-72726-1363-14 | C | data_[C20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.4386]
_cell_length_b [12.8227]
_cell_length_c [4.2328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [C]
_chemical_formula_sum '[C20]'
_cell_volume [132.3586]
_cell_formula_units_Z [20]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0000 0.1007 0.1510 1.0
C C1 4 0.0000 0.1087 0.8012 1.0
C C2 4 0.0000 0.2240 0.7615 1.0
C C3 4 0.0000 0.4055 0.3104 1.0
C C4 4 0.0000 0.4385 0.6489 1.0
] |
Carbon-24 | C-184074-4085-25 | C | data_[C20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2212]
_cell_length_b [2.4846]
_cell_length_c [4.9941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C20]'
_cell_volume [113.6094]
_cell_formula_units_Z [20]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0210 0.5000 0.6446 1.0
C C1 4 0.0879 0.0000 0.0286 1.0
C C2 4 0.1092 0.0000 0.7317 1.0
C C3 4 0.1141 0.5000 0.2010 1.0
C C4 4 0.2495 0.0000 0.5927 1.0
] |
Carbon-24 | C-80199-6032-61 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.4716]
_cell_length_b [4.1705]
_cell_length_c [6.6490]
_cell_angle_alpha [96.2516]
_cell_angle_beta [90.1075]
_cell_angle_gamma [91.2946]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [68.1105]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 1 0.0128 0.4073 0.5444 1.0
C C1 1 0.1526 0.2112 0.9511 1.0
C C2 1 0.1577 0.4146 0.3158 1.0
C C3 1 0.1702 0.1124 0.1666 1.0
C C4 1 0.2056 0.8772 0.8457 1.0
C C5 1 0.3507 0.9201 0.6251 1.0
C C6 1 0.5104 0.2823 0.6406 1.0
C C7 1 0.6384 0.3728 0.8789 1.0
C C8 1 0.6736 0.8875 0.1584 1.0
C C9 1 0.6875 0.7299 0.9294 1.0
C C10 1 0.6886 0.6388 0.3080 1.0
C C11 1 0.8408 0.7618 0.5298 1.0
] |
Carbon-24 | C-28228-7733-49 | C | data_[C18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.4774]
_cell_length_b [2.4774]
_cell_length_c [18.4390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [C]
_chemical_formula_sum '[C18]'
_cell_volume [98.0106]
_cell_formula_units_Z [18]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 6 0.0000 0.0000 0.2355 1.0
C C1 6 0.0000 0.0000 0.4588 1.0
C C2 6 0.0000 0.0000 0.6806 1.0
] |
Carbon-24 | C-157701-8688-12 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.5124]
_cell_length_b [4.1095]
_cell_length_c [6.8463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [70.6856]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.0000 0.3156 0.8060 1.0
C C1 4 0.0000 0.1654 0.0000 1.0
] |
Carbon-24 | C-193950-5354-49 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9489]
_cell_length_b [2.4809]
_cell_length_c [4.2181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [70.0095]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0185 0.5000 0.6827 1.0
C C1 4 0.0610 0.0000 0.1864 1.0
C C2 4 0.2401 0.5000 0.8892 1.0
] |
Carbon-24 | C-148275-4529-49 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.5390]
_cell_length_b [4.2612]
_cell_length_c [9.3276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [100.9178]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0000 0.1620 0.1182 1.0
C C1 4 0.0000 0.3138 0.8361 1.0
C C2 4 0.0000 0.3178 0.2622 1.0
C C3 4 0.0000 0.3388 0.9958 1.0
] |
Carbon-24 | C-145335-4867-32 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.6856]
_cell_length_b [5.6856]
_cell_length_c [2.4668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [69.0560]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 6 0.1592 0.3185 0.0000 1.0
C C1 6 0.2460 0.4919 0.5000 1.0
] |
Carbon-24 | C-57111-4456-9 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2794]
_cell_length_b [2.4265]
_cell_length_c [4.1503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [118.8782]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0504 0.5000 0.9428 1.0
C C1 4 0.1013 0.0000 0.9042 1.0
C C2 4 0.2214 0.0000 0.9046 1.0
C C3 4 0.2425 0.0000 0.5714 1.0
] |
Carbon-24 | C-47650-9988-29 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.4874]
_cell_length_b [5.7490]
_cell_length_c [6.5250]
_cell_angle_alpha [96.8154]
_cell_angle_beta [92.8892]
_cell_angle_gamma [90.4747]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [92.5226]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 1 0.1266 0.6313 0.5058 1.0
C C1 1 0.1382 0.9095 0.6047 1.0
C C2 1 0.1538 0.6419 0.8558 1.0
C C3 1 0.1559 0.8859 0.8356 1.0
C C4 1 0.1586 0.4606 0.6806 1.0
C C5 1 0.1706 0.5913 0.0628 1.0
C C6 1 0.2483 0.3400 0.0582 1.0
C C7 1 0.4666 0.3248 0.2790 1.0
C C8 1 0.6002 0.1097 0.3361 1.0
C C9 1 0.6078 0.5743 0.3769 1.0
C C10 1 0.6410 0.0545 0.5561 1.0
C C11 1 0.6595 0.9399 0.1719 1.0
C C12 1 0.6659 0.6899 0.1820 1.0
C C13 1 0.6678 0.2995 0.7028 1.0
C C14 1 0.6727 0.9922 0.9508 1.0
C C15 1 0.7165 0.2457 0.9381 1.0
] |
Carbon-24 | C-73639-7493-53 | C | data_[C32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4345]
_cell_length_b [2.4489]
_cell_length_c [8.5208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C32]'
_cell_volume [232.2453]
_cell_formula_units_Z [32]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0173 0.0000 0.0961 1.0
C C1 4 0.0369 0.5000 0.1877 1.0
C C2 4 0.0554 0.0000 0.4435 1.0
C C3 4 0.0844 0.0000 0.6503 1.0
C C4 4 0.0869 0.5000 0.3920 1.0
C C5 4 0.1414 0.5000 0.7582 1.0
C C6 4 0.2244 0.5000 0.9482 1.0
C C7 4 0.2249 0.5000 0.4843 1.0
] |
Carbon-24 | C-9606-4988-3 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0271]
_cell_length_b [2.4851]
_cell_length_c [4.0861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [90.9968]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0573 0.0000 0.8789 1.0
C C1 4 0.0577 0.5000 0.6528 1.0
C C2 4 0.2134 0.0000 0.0589 1.0
C C3 4 0.2290 0.5000 0.5852 1.0
] |
Carbon-24 | C-73615-2489-55 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2316]
_cell_length_b [2.4844]
_cell_length_c [5.2227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [92.5619]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0264 0.5000 0.6431 1.0
C C1 4 0.1005 0.0000 0.0291 1.0
C C2 4 0.1378 0.0000 0.7495 1.0
C C3 4 0.1476 0.5000 0.1942 1.0
] |
Carbon-24 | C-101135-8572-66 | C | data_[C18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.4797]
_cell_length_b [5.7282]
_cell_length_c [8.2300]
_cell_angle_alpha [71.2203]
_cell_angle_beta [86.3928]
_cell_angle_gamma [87.3736]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [C]
_chemical_formula_sum '[C18]'
_cell_volume [110.4183]
_cell_formula_units_Z [18]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 1 0.0607 0.5039 0.9207 1.0
C C1 1 0.1555 0.7381 0.7808 1.0
C C2 1 0.1685 0.9738 0.8257 1.0
C C3 1 0.2021 0.0919 0.4627 1.0
C C4 1 0.2078 0.9600 0.0185 1.0
C C5 1 0.2263 0.1718 0.2929 1.0
C C6 1 0.2887 0.6378 0.3201 1.0
C C7 1 0.3030 0.6699 0.1316 1.0
C C8 1 0.6068 0.3587 0.8975 1.0
C C9 1 0.6404 0.3525 0.7189 1.0
C C10 1 0.6636 0.1024 0.7258 1.0
C C11 1 0.6825 0.7590 0.6675 1.0
C C12 1 0.6892 0.0294 0.5631 1.0
C C13 1 0.6905 0.1104 0.0405 1.0
C C14 1 0.7118 0.5620 0.5913 1.0
C C15 1 0.7390 0.2325 0.1916 1.0
C C16 1 0.7668 0.6116 0.4055 1.0
C C17 1 0.8472 0.5318 0.0935 1.0
] |
Carbon-24 | C-90863-258-9 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1530]
_cell_length_b [2.4277]
_cell_length_c [4.1852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [108.2736]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0424 0.0000 0.6633 1.0
C C1 4 0.0862 0.5000 0.8226 1.0
C C2 4 0.2170 0.5000 0.0477 1.0
C C3 4 0.2421 0.5000 0.4162 1.0
] |
Carbon-24 | C-189742-1338-13 | C | data_[C20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [2.4853]
_cell_length_b [5.6375]
_cell_length_c [8.5645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [C]
_chemical_formula_sum '[C20]'
_cell_volume [119.9972]
_cell_formula_units_Z [20]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0000 0.1343 0.0290 1.0
C C1 4 0.0000 0.2103 0.6804 1.0
C C2 4 0.5000 0.1530 0.7745 1.0
C C3 4 0.5000 0.2312 0.9394 1.0
C C4 2 0.0000 0.0000 0.5809 1.0
C C5 2 0.5000 0.0000 0.4832 1.0
] |
Carbon-24 | C-57142-7457-49 | C | data_[C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.3247]
_cell_length_b [4.1089]
_cell_length_c [4.6645]
_cell_angle_alpha [71.9121]
_cell_angle_beta [87.0456]
_cell_angle_gamma [77.1298]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [C]
_chemical_formula_sum '[C8]'
_cell_volume [59.0395]
_cell_formula_units_Z [8]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.1160 0.8835 0.9320 1.0
C C1 2 0.1205 0.8780 0.6220 1.0
C C2 2 0.4057 0.5937 0.0933 1.0
C C3 2 0.4318 0.5663 0.6162 1.0
] |
Carbon-24 | C-76016-983-55 | C | data_[C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [3.2586]
_cell_length_b [3.3984]
_cell_length_c [4.6655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1079]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [C]
_chemical_formula_sum '[C8]'
_cell_volume [48.5177]
_cell_formula_units_Z [8]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.1432 0.4786 0.4106 1.0
C C1 4 0.4974 0.1918 0.9223 1.0
] |
Carbon-24 | C-92111-7590-9 | C | data_[C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.4285]
_cell_length_b [2.4285]
_cell_length_c [8.4505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [C]
_chemical_formula_sum '[C6]'
_cell_volume [43.1620]
_cell_formula_units_Z [6]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 6 0.0000 0.0000 0.3333 1.0
] |
Carbon-24 | C-130516-3871-2 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [2.5490]
_cell_length_b [12.7423]
_cell_length_c [2.4378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [79.1811]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0000 0.2760 0.5000 1.0
C C1 4 0.0000 0.3907 0.5000 1.0
C C2 4 0.0000 0.4445 0.0000 1.0
] |
Carbon-24 | C-107758-6639-25 | C | data_[C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.6956]
_cell_length_b [4.5265]
_cell_length_c [4.6894]
_cell_angle_alpha [94.6504]
_cell_angle_beta [105.7465]
_cell_angle_gamma [105.0940]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [C]
_chemical_formula_sum '[C8]'
_cell_volume [52.4570]
_cell_formula_units_Z [8]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.0491 0.5963 0.4007 1.0
C C1 2 0.0749 0.5668 0.8834 1.0
C C2 2 0.2485 0.9197 0.5470 1.0
C C3 2 0.3471 0.8866 0.8784 1.0
] |
Carbon-24 | C-142757-9743-32 | C | data_[C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [2.5016]
_cell_length_b [4.8850]
_cell_length_c [4.0966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [C]
_chemical_formula_sum '[C8]'
_cell_volume [50.0616]
_cell_formula_units_Z [8]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.0000 0.0875 0.8554 1.0
] |
Carbon-24 | C-172943-9308-9 | C | data_[C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [3.5175]
_cell_length_b [3.5175]
_cell_length_c [3.5175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [C]
_chemical_formula_sum '[C8]'
_cell_volume [43.5212]
_cell_formula_units_Z [8]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.0000 0.0000 0.0000 1.0
] |
Carbon-24 | C-41276-8743-6 | C | data_[C18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.4772]
_cell_length_b [2.4772]
_cell_length_c [18.4385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [C]
_chemical_formula_sum '[C18]'
_cell_volume [97.9884]
_cell_formula_units_Z [18]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 6 0.0000 0.0000 0.2353 1.0
C C1 6 0.0000 0.0000 0.3190 1.0
C C2 6 0.0000 0.0000 0.4582 1.0
] |
Carbon-24 | C-130518-7047-45 | C | data_[C20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7995]
_cell_length_b [2.4463]
_cell_length_c [7.1937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C20]'
_cell_volume [131.1997]
_cell_formula_units_Z [20]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0073 0.5000 0.0962 1.0
C C1 4 0.0243 0.0000 0.2182 1.0
C C2 4 0.1083 0.0000 0.7147 1.0
C C3 4 0.1603 0.5000 0.6724 1.0
C C4 4 0.2314 0.0000 0.4300 1.0
] |
Carbon-24 | C-106857-1903-36 | C | data_[C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.4728]
_cell_length_b [2.4728]
_cell_length_c [4.1177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [C]
_chemical_formula_sum '[C4]'
_cell_volume [21.8055]
_cell_formula_units_Z [4]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.3333 0.6667 0.9371 1.0
] |
Carbon-24 | C-170902-8935-55 | C | data_[C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [4.2047]
_cell_length_b [2.4311]
_cell_length_c [5.8509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [C]
_chemical_formula_sum '[C8]'
_cell_volume [57.2963]
_cell_formula_units_Z [8]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.1666 0.2872 0.2507 1.0
] |
Carbon-24 | C-9632-1856-26 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0220]
_cell_length_b [2.4845]
_cell_length_c [4.0858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [90.9158]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0556 0.5000 0.8790 1.0
C C1 4 0.0569 0.0000 0.6521 1.0
C C2 4 0.2126 0.5000 0.0591 1.0
C C3 4 0.2295 0.0000 0.5849 1.0
] |
Carbon-24 | C-96696-5300-44 | C | data_[C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [3.5162]
_cell_length_b [3.5162]
_cell_length_c [3.5162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [C]
_chemical_formula_sum '[C8]'
_cell_volume [43.4744]
_cell_formula_units_Z [8]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.0000 0.0000 0.5000 1.0
] |
Carbon-24 | C-76008-2415-49 | C | data_[C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.0639]
_cell_length_b [2.4857]
_cell_length_c [4.6905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [C]
_chemical_formula_sum '[C8]'
_cell_volume [45.5468]
_cell_formula_units_Z [8]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.1010 0.0000 0.8880 1.0
C C1 2 0.1307 0.0000 0.4199 1.0
C C2 2 0.3266 0.5000 0.8830 1.0
C C3 2 0.3347 0.5000 0.5356 1.0
] |
Carbon-24 | C-176683-1873-25 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6172]
_cell_length_b [3.6429]
_cell_length_c [3.2218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [87.5354]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.1733 0.3100 0.3472 1.0
C C1 4 0.0768 0.0000 0.1548 1.0
] |
Carbon-24 | C-113050-8539-46 | C | data_[C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7024]
_cell_length_b [4.2057]
_cell_length_c [4.2687]
_cell_angle_alpha [60.6981]
_cell_angle_beta [76.1443]
_cell_angle_gamma [68.3190]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [C]
_chemical_formula_sum '[C8]'
_cell_volume [53.7221]
_cell_formula_units_Z [8]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.0287 0.3340 0.9995 1.0
C C1 2 0.0697 0.3053 0.6613 1.0
C C2 2 0.1155 0.9654 0.3363 1.0
C C3 2 0.4855 0.1055 0.5827 1.0
] |
Carbon-24 | C-172947-5402-4 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9498]
_cell_length_b [2.4819]
_cell_length_c [4.2161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [70.0277]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0178 0.0000 0.1825 1.0
C C1 4 0.0604 0.5000 0.6864 1.0
C C2 4 0.2403 0.0000 0.3890 1.0
] |
Carbon-24 | C-40128-4097-1 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.9627]
_cell_length_b [5.9635]
_cell_length_c [2.4257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [86.2559]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.2040 0.2183 0.7500 1.0
C C1 4 0.0000 0.0741 0.7500 1.0
] |
Carbon-24 | C-41318-6901-47 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [2.4691]
_cell_length_b [5.9675]
_cell_length_c [5.1913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [76.4902]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0000 0.0000 0.3720 1.0
C C1 4 0.0000 0.3196 0.0000 1.0
C C2 4 0.0000 0.5000 0.2193 1.0
] |
Carbon-24 | C-34606-3915-48 | C | data_[C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.9821]
_cell_length_b [4.2593]
_cell_length_c [4.7907]
_cell_angle_alpha [84.0651]
_cell_angle_beta [73.1796]
_cell_angle_gamma [72.7092]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [C]
_chemical_formula_sum '[C8]'
_cell_volume [55.6047]
_cell_formula_units_Z [8]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.1858 0.9251 0.8853 1.0
C C1 2 0.4050 0.0875 0.6268 1.0
C C2 2 0.4058 0.5743 0.8882 1.0
C C3 2 0.4554 0.4125 0.6283 1.0
] |
Carbon-24 | C-113050-8539-33 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0131]
_cell_length_b [2.4843]
_cell_length_c [4.0891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [90.8901]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0568 0.0000 0.1540 1.0
C C1 4 0.0574 0.5000 0.3788 1.0
C C2 4 0.2132 0.5000 0.5598 1.0
C C3 4 0.2293 0.0000 0.0847 1.0
] |
Carbon-24 | C-80168-1847-46 | C | data_[C24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.8318]
_cell_length_b [2.4683]
_cell_length_c [4.2600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [C]
_chemical_formula_sum '[C24]'
_cell_volume [131.3165]
_cell_formula_units_Z [24]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 4 0.0602 0.9996 0.5404 1.0
C C1 4 0.0622 0.4405 0.0429 1.0
C C2 4 0.1017 0.5122 0.4062 1.0
C C3 4 0.1020 0.9281 0.8985 1.0
C C4 4 0.2220 0.6367 0.5486 1.0
C C5 4 0.2234 0.7880 0.9142 1.0
] |
Carbon-24 | C-13937-9715-40 | C | data_[C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.0594]
_cell_length_b [5.8126]
_cell_length_c [2.4243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [C]
_chemical_formula_sum '[C12]'
_cell_volume [85.3874]
_cell_formula_units_Z [12]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.2026 0.2797 0.7500 1.0
C C1 4 0.0000 0.4238 0.7500 1.0
] |
Carbon-24 | C-13691-2934-59 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.4942]
_cell_length_b [6.3698]
_cell_length_c [6.3499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [100.8852]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.0000 0.1123 0.5275 1.0
C C1 8 0.0000 0.3012 0.1331 1.0
] |
Carbon-24 | C-170888-2365-60 | C | data_[C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1836]
_cell_length_b [8.6225]
_cell_length_c [2.4759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [C]
_chemical_formula_sum '[C16]'
_cell_volume [89.3133]
_cell_formula_units_Z [16]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 8 0.1848 0.4104 0.0000 1.0
C C1 8 0.1849 0.1665 0.5000 1.0
] |
Carbon-24 | C-134219-5441-34 | C | data_[C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.5161]
_cell_length_b [3.9411]
_cell_length_c [4.7750]
_cell_angle_alpha [86.6841]
_cell_angle_beta [81.4221]
_cell_angle_gamma [80.1127]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [C]
_chemical_formula_sum '[C8]'
_cell_volume [46.1011]
_cell_formula_units_Z [8]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.0105 0.8765 0.3811 1.0
C C1 2 0.0746 0.9200 0.8790 1.0
C C2 2 0.2638 0.5502 0.9079 1.0
C C3 2 0.4452 0.3655 0.6238 1.0
] |
Carbon-24 | C-13913-1160-5 | C | data_[C10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6751]
_cell_length_b [2.5092]
_cell_length_c [4.9753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [C]
_chemical_formula_sum '[C10]'
_cell_volume [58.0121]
_cell_formula_units_Z [10]
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
[
C C0 2 0.0727 0.5000 0.8889 1.0
C C1 2 0.0954 0.5000 0.3851 1.0
C C2 2 0.2766 0.0000 0.4269 1.0
C C3 2 0.3952 0.5000 0.8711 1.0
C C4 2 0.4479 0.0000 0.7089 1.0
] |
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