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| # generated using pymatgen | |
| data_Si | |
| _symmetry_space_group_name_H-M 'P 1' | |
| _cell_length_a 5.44370237 | |
| _cell_length_b 5.44370237 | |
| _cell_length_c 5.44370237 | |
| _cell_angle_alpha 90.00000000 | |
| _cell_angle_beta 90.00000000 | |
| _cell_angle_gamma 90.00000000 | |
| _symmetry_Int_Tables_number 1 | |
| _chemical_formula_structural Si | |
| _chemical_formula_sum Si8 | |
| _cell_volume 161.31810739 | |
| _cell_formula_units_Z 8 | |
| loop_ | |
| _symmetry_equiv_pos_site_id | |
| _symmetry_equiv_pos_as_xyz | |
| 1 'x, y, z' | |
| loop_ | |
| _atom_type_symbol | |
| _atom_type_oxidation_number | |
| Si0+ 0.0 | |
| 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 | |
| Si0+ Si0 1 0.75000000 0.75000000 0.25000000 1 | |
| Si0+ Si1 1 0.00000000 0.50000000 0.50000000 1 | |
| Si0+ Si2 1 0.75000000 0.25000000 0.75000000 1 | |
| Si0+ Si3 1 0.00000000 0.00000000 0.00000000 1 | |
| Si0+ Si4 1 0.25000000 0.75000000 0.75000000 1 | |
| Si0+ Si5 1 0.50000000 0.50000000 0.00000000 1 | |
| Si0+ Si6 1 0.25000000 0.25000000 0.25000000 1 | |
| Si0+ Si7 1 0.50000000 0.00000000 0.50000000 1 | |