material_id
stringlengths 6
10
| formula_pretty
stringlengths 3
24
| n_elements
int64 2
8
| contains_transition_metal
bool 2
classes | formation_energy_per_atom
float64 -2.33
7.95
| energy_per_atom
float64 -16.62
2.06
| band_gap
float64 -0.87
5.03
| is_semiconductor
bool 2
classes | density
float64 -2.48
10.3
| volume
float64 -1.19
19.9
| elements
stringlengths 11
46
|
|---|---|---|---|---|---|---|---|---|---|---|
mp-764370
|
LiCoF3
| 3 | true | -0.669202 | 0.504364 | 1.192327 | true | -0.134277 | -0.740211 |
['Co', 'F', 'Li']
|
mp-777553
|
LiFeF4
| 3 | true | -0.849299 | 0.442666 | 1.405748 | true | -0.276114 | -0.04187 |
['F', 'Fe', 'Li']
|
mp-759679
|
LiMnF4
| 3 | true | -0.973488 | 0.376451 | 0.216496 | true | -0.502871 | 0.08464 |
['F', 'Li', 'Mn']
|
mp-1178122
|
Li(FeO2)2
| 3 | true | 0.385856 | 0.038868 | -0.868213 | false | 0.203336 | 0.489842 |
['Fe', 'Li', 'O']
|
mp-1189919
|
LiPO4
| 3 | false | 0.140939 | 0.264639 | -0.868213 | false | -1.152741 | -0.515024 |
['Li', 'O', 'P']
|
mp-1222341
|
LiTa2O6
| 3 | false | -1.071501 | -0.527611 | -0.868213 | false | 2.043269 | -0.91058 |
['Li', 'O', 'Ta']
|
mp-33338
|
LiGa3Te5
| 3 | false | 1.416211 | 1.051165 | -0.095984 | false | 0.87642 | 1.99921 |
['Ga', 'Li', 'Te']
|
mp-570512
|
LiWCl6
| 3 | false | 0.834659 | -1.529551 | -0.868213 | false | -0.247521 | 1.051308 |
['Cl', 'Li', 'W']
|
mp-775739
|
LiMn28O56
| 3 | true | 0.217286 | -0.231977 | -0.868213 | false | 0.251451 | 1.598757 |
['Li', 'Mn', 'O']
|
mp-777888
|
LiFeF3
| 3 | true | -0.891158 | 0.368266 | 1.445223 | true | -0.183078 | -0.577339 |
['F', 'Fe', 'Li']
|
mp-760095
|
LiMnF3
| 3 | true | -1.076168 | 0.279317 | 0.774559 | true | -0.416685 | -0.144614 |
['F', 'Li', 'Mn']
|
mp-1078377
|
LiNbO3
| 3 | false | -0.99549 | -0.282116 | 1.626211 | true | 0.290634 | -0.899333 |
['Li', 'Nb', 'O']
|
mp-1078799
|
LiNbF6
| 3 | false | -1.408943 | -0.49671 | 2.357678 | true | -0.210313 | -0.93973 |
['F', 'Li', 'Nb']
|
mp-1078834
|
LiRuF6
| 3 | false | -0.366735 | -0.246892 | -0.191184 | false | 0.049502 | -0.959797 |
['F', 'Li', 'Ru']
|
mp-1079181
|
LiOsF6
| 3 | false | -0.358346 | -1.244263 | -0.052921 | false | 0.990886 | -0.952941 |
['F', 'Li', 'Os']
|
mp-1079483
|
LiAuF6
| 3 | false | 0.231018 | 0.995234 | 0.396129 | true | 1.187555 | -0.962268 |
['Au', 'F', 'Li']
|
mp-1080679
|
LiTaF6
| 3 | false | -1.629745 | -1.420225 | 3.129026 | true | 0.689593 | -0.935386 |
['F', 'Li', 'Ta']
|
mp-1095099
|
LiPtF6
| 3 | false | 0.15126 | -1.055553 | -0.868213 | false | 1.209129 | -0.965493 |
['F', 'Li', 'Pt']
|
mp-1103834
|
Li(Mo3S4)2
| 3 | false | 1.042974 | -0.122236 | -0.868213 | false | 0.856534 | -0.438334 |
['Li', 'Mo', 'S']
|
mp-1104651
|
Li(Mo3Se4)2
| 3 | false | 1.425237 | -3.372073 | -0.868213 | false | 1.795664 | -0.333239 |
['Li', 'Mo', 'Se']
|
mp-11172
|
LiIrF6
| 3 | false | -0.055755 | -1.141761 | -0.868213 | false | 1.122422 | -0.961516 |
['F', 'Ir', 'Li']
|
mp-11171
|
LiRhF6
| 3 | false | -0.010596 | -0.106243 | -0.868213 | false | 0.148828 | -0.967983 |
['F', 'Li', 'Rh']
|
mp-14591
|
LiSbS2
| 3 | false | 1.173049 | 0.809781 | -0.01717 | false | -0.062606 | 0.278992 |
['Li', 'S', 'Sb']
|
mp-2647071
|
LiZnF6
| 3 | false | 0.296612 | 0.526987 | -0.868213 | false | -0.35144 | -0.961094 |
['F', 'Li', 'Zn']
|
mp-27419
|
LiBiF6
| 3 | false | -0.372402 | -1.448064 | 0.851206 | true | 1.027201 | -0.93886 |
['Bi', 'F', 'Li']
|
mp-3980
|
LiSbF6
| 3 | false | -0.983984 | 0.643789 | 2.472175 | true | 0.237739 | -0.954708 |
['F', 'Li', 'Sb']
|
mp-504102
|
Li(NiO2)2
| 3 | true | 0.843664 | 0.382594 | -0.868213 | false | 0.740893 | -0.866358 |
['Li', 'Ni', 'O']
|
mp-752607
|
LiVF3
| 3 | false | -1.150649 | 0.264207 | 0.855472 | true | -0.352666 | -0.89635 |
['F', 'Li', 'V']
|
mp-752752
|
LiMnF6
| 3 | true | -0.428062 | 0.607862 | -0.868213 | false | -0.262466 | -0.987019 |
['F', 'Li', 'Mn']
|
mp-754051
|
LiFeF3
| 3 | true | -0.660031 | 0.429221 | -0.860968 | false | -0.148193 | -0.912626 |
['F', 'Fe', 'Li']
|
mp-752829
|
LiMnF3
| 3 | true | -1.134937 | 0.263818 | 1.695613 | true | -0.279136 | -0.896121 |
['F', 'Li', 'Mn']
|
mp-754011
|
Li(BiO2)3
| 3 | false | 0.43979 | 0.399364 | -0.868213 | false | 2.835382 | -0.361919 |
['Bi', 'Li', 'O']
|
mp-755797
|
LiTi8O13
| 3 | false | -1.376846 | -0.530906 | -0.868213 | false | 0.191399 | -0.527911 |
['Li', 'O', 'Ti']
|
mp-758501
|
LiNiF3
| 3 | true | -0.684728 | -0.019826 | 2.683158 | true | 0.169398 | -0.9444 |
['F', 'Li', 'Ni']
|
mp-763003
|
LiMnF3
| 3 | true | -1.076029 | 0.279354 | 0.876123 | true | -0.899509 | 0.183408 |
['F', 'Li', 'Mn']
|
mp-773572
|
LiCo6O7
| 3 | true | 0.76504 | 0.096103 | -0.868213 | false | 1.38713 | -0.849075 |
['Co', 'Li', 'O']
|
mp-777489
|
LiFeF3
| 3 | true | -0.829351 | 0.384566 | 1.310819 | true | -0.838029 | 0.141555 |
['F', 'Fe', 'Li']
|
mp-9143
|
LiPF6
| 3 | false | -1.043903 | 0.170137 | 4.236688 | false | -0.477151 | -0.99832 |
['F', 'Li', 'P']
|
mp-9144
|
LiAsF6
| 3 | false | -0.644421 | 0.068564 | 2.612334 | true | -0.077982 | -0.979705 |
['As', 'F', 'Li']
|
mp-9657
|
LiAsO3
| 3 | false | -0.01174 | 0.292496 | 1.4243 | true | 0.544604 | -0.9653 |
['As', 'Li', 'O']
|
mp-757163
|
LiVF6
| 3 | false | -1.066395 | 0.442348 | 1.270735 | true | -0.577376 | -0.952716 |
['F', 'Li', 'V']
|
mp-1079885
|
LiSbS2
| 3 | false | 1.158497 | 0.805943 | -0.806529 | false | 0.019018 | -0.748763 |
['Li', 'S', 'Sb']
|
mp-1176538
|
LiVF4
| 3 | false | -1.343879 | 0.282545 | 0.628509 | true | -0.622703 | -0.782803 |
['F', 'Li', 'V']
|
mp-1176726
|
LiFe3O4
| 3 | true | 0.330119 | -0.08282 | -0.861103 | false | 0.828505 | -0.779714 |
['Fe', 'Li', 'O']
|
mp-1176731
|
LiFe2F5
| 3 | true | -0.037282 | 0.498237 | 1.954467 | true | -0.149729 | -0.657219 |
['F', 'Fe', 'Li']
|
mp-1176630
|
LiMnF3
| 3 | true | -1.146793 | 0.260692 | 1.588767 | true | -0.416311 | -0.509256 |
['F', 'Li', 'Mn']
|
mp-1176702
|
LiFeF4
| 3 | true | -0.930763 | 0.421182 | -0.849254 | false | -0.562126 | -0.780812 |
['F', 'Fe', 'Li']
|
mp-1176530
|
LiVF4
| 3 | false | -1.286459 | 0.297688 | 0.703802 | true | -0.556418 | -0.79826 |
['F', 'Li', 'V']
|
mp-1176638
|
LiMnF4
| 3 | true | -1.029163 | 0.361768 | 0.457339 | true | -0.573418 | -0.78115 |
['F', 'Li', 'Mn']
|
mp-1176620
|
LiMnF5
| 3 | true | -0.781194 | 0.477202 | -0.125303 | false | -0.331117 | -0.313898 |
['F', 'Li', 'Mn']
|
mp-1176738
|
LiMn7O14
| 3 | true | 0.126549 | -0.21247 | -0.868213 | false | 0.192661 | 1.685213 |
['Li', 'Mn', 'O']
|
mp-1180547
|
LiAlH4
| 3 | false | 1.94247 | 0.941744 | 1.766776 | true | -1.731653 | -0.924923 |
['Al', 'H', 'Li']
|
mp-1180610
|
LiB5O13
| 3 | false | 0.470874 | 0.141505 | -0.828806 | false | -1.257511 | 1.519707 |
['B', 'Li', 'O']
|
mp-1188344
|
CsLiCl2
| 3 | false | -0.15678 | -1.389564 | 2.589922 | true | -0.556716 | 0.147039 |
['Cl', 'Cs', 'Li']
|
mp-1206673
|
CsLiN2
| 3 | false | 3.286785 | -0.913183 | -0.868213 | false | -0.496191 | -0.703099 |
['Cs', 'Li', 'N']
|
mp-1211067
|
LiTm2Br5
| 3 | false | 0.255038 | 0.914787 | -0.868213 | false | 1.01614 | 0.116569 |
['Br', 'Li', 'Tm']
|
mp-1210909
|
LiIrO2
| 3 | false | 0.661266 | 0.21575 | 0.095295 | true | 3.787911 | -0.53156 |
['Ir', 'Li', 'O']
|
mp-1211059
|
LiSm2Br5
| 3 | false | 0.141316 | 0.867671 | -0.770982 | false | 1.016498 | 0.048827 |
['Br', 'Li', 'Sm']
|
mp-1212277
|
Li(NO)6
| 3 | false | 1.862131 | 0.208029 | -0.868213 | false | -2.075905 | 1.531139 |
['Li', 'N', 'O']
|
mp-12263
|
LiAuF4
| 3 | false | -0.045794 | 0.905848 | 0.53595 | true | 1.596809 | -0.36337 |
['Au', 'F', 'Li']
|
mp-1273482
|
LiNiO2
| 3 | true | 0.564755 | 0.412137 | -0.868213 | false | 0.659306 | -0.447308 |
['Li', 'Ni', 'O']
|
mp-1540429
|
LiBiO2
| 3 | false | 0.145113 | 0.438567 | 0.839221 | true | 2.297581 | -0.576284 |
['Bi', 'Li', 'O']
|
mp-19373
|
LiVO3
| 3 | false | -0.499472 | -0.092262 | 1.186233 | true | -0.481527 | -0.568046 |
['Li', 'O', 'V']
|
mp-19440
|
LiVO3
| 3 | false | -0.498633 | -0.092041 | 1.05183 | true | -0.909164 | -0.388939 |
['Li', 'O', 'V']
|
mp-23421
|
LiYb2Cl5
| 3 | false | 0.050555 | -2.2999 | 2.841396 | true | 0.980556 | -0.263159 |
['Cl', 'Li', 'Yb']
|
mp-25576
|
Li(MoO2)2
| 3 | false | -0.017836 | -0.264535 | 0.129895 | true | 0.722462 | -0.716335 |
['Li', 'Mo', 'O']
|
mp-2506805
|
LiMnO2
| 3 | true | -0.172326 | -0.027564 | 0.258814 | true | 0.125746 | -0.780945 |
['Li', 'Mn', 'O']
|
mp-2767265
|
Li(CoO2)4
| 3 | true | 0.788327 | -0.553895 | -0.868213 | false | 0.694523 | -0.495784 |
['Co', 'Li', 'O']
|
mp-28068
|
LiDy2Cl5
| 3 | false | -0.029599 | -1.991172 | -0.767664 | false | 0.623018 | -0.195045 |
['Cl', 'Dy', 'Li']
|
mp-29431
|
LiDy2Br5
| 3 | false | 0.222281 | 0.896292 | -0.786826 | false | 1.245664 | 0.011768 |
['Br', 'Dy', 'Li']
|
mp-35929
|
LiMnO2
| 3 | true | -0.136102 | -0.018011 | 0.098275 | true | 0.113175 | -0.778753 |
['Li', 'Mn', 'O']
|
mp-556472
|
LiYF4
| 3 | false | -2.289498 | -0.767464 | 4.423296 | false | 0.038715 | -0.805407 |
['F', 'Li', 'Y']
|
mp-559767
|
LiAsO3
| 3 | false | 0.027619 | 0.302876 | 1.122993 | true | 0.006566 | -0.575739 |
['As', 'Li', 'O']
|
mp-561430
|
LiLuF4
| 3 | false | -2.333873 | -1.638308 | 4.382129 | false | 1.799932 | -0.854135 |
['F', 'Li', 'Lu']
|
mp-570542
|
LiTm2Cl5
| 3 | false | 0.041797 | -2.200054 | -0.760825 | false | 0.794069 | -0.224065 |
['Cl', 'Li', 'Tm']
|
mp-680450
|
K2LiSn4
| 3 | false | 1.855822 | 1.190492 | -0.188205 | false | 0.048743 | 9.999071 |
['K', 'Li', 'Sn']
|
mp-696822
|
LiNO3
| 3 | false | 1.854969 | 0.571939 | -0.868213 | false | -0.850631 | -0.971419 |
['Li', 'N', 'O']
|
mp-723831
|
LiVO3
| 3 | false | -0.498633 | -0.092041 | 0.967599 | true | -0.783186 | -0.450924 |
['Li', 'O', 'V']
|
mp-752525
|
LiAgF2
| 3 | false | -0.098139 | -0.662846 | 0.386786 | true | 0.586311 | -0.604682 |
['Ag', 'F', 'Li']
|
mp-753032
|
LiMn2F5
| 3 | true | -1.092254 | 0.169816 | 1.564324 | true | 0.13928 | -0.725009 |
['F', 'Li', 'Mn']
|
mp-753089
|
LiCu2F6
| 3 | false | -0.079513 | 0.136796 | -0.868213 | false | 0.208664 | -0.652614 |
['Cu', 'F', 'Li']
|
mp-752521
|
LiFeO3
| 3 | true | 0.612225 | 0.236547 | -0.642537 | false | -0.103238 | -0.647256 |
['Fe', 'Li', 'O']
|
mp-752914
|
Li(CoO2)2
| 3 | true | 0.582028 | 0.201407 | -0.868213 | false | 0.540296 | -0.840892 |
['Co', 'Li', 'O']
|
mp-752898
|
LiCu3F7
| 3 | false | -0.068578 | 0.022207 | -0.829415 | false | 0.269928 | -0.474947 |
['Cu', 'F', 'Li']
|
mp-752605
|
LiAgF3
| 3 | false | -0.041299 | -0.394114 | -0.649646 | false | 0.22169 | -0.430824 |
['Ag', 'F', 'Li']
|
mp-752935
|
Li(FeO2)2
| 3 | true | 0.395477 | 0.041405 | -0.868213 | false | 0.099398 | -0.788938 |
['Fe', 'Li', 'O']
|
mp-754569
|
LiFeF4
| 3 | true | -0.850134 | 0.442446 | 1.264844 | true | -0.632255 | -0.763723 |
['F', 'Fe', 'Li']
|
mp-754707
|
LiFeF3
| 3 | true | -0.865876 | 0.374934 | 1.450707 | true | -0.491644 | -0.47627 |
['F', 'Fe', 'Li']
|
mp-754994
|
LiFeF3
| 3 | true | -0.870447 | 0.373728 | 1.32971 | true | -0.351619 | -0.525717 |
['F', 'Fe', 'Li']
|
mp-755188
|
LiFe2F5
| 3 | true | -0.749598 | 0.310379 | 1.417394 | true | 0.26129 | -0.743407 |
['F', 'Fe', 'Li']
|
mp-755335
|
LiCr2O3
| 3 | false | -0.231707 | -0.266087 | -0.288957 | false | 0.436904 | -0.545874 |
['Cr', 'Li', 'O']
|
mp-755703
|
LiSbO2
| 3 | false | 0.021789 | 0.388709 | 0.609957 | true | 0.362016 | -0.879032 |
['Li', 'O', 'Sb']
|
mp-756227
|
LiV2F7
| 3 | false | -1.352773 | 0.210759 | 0.567232 | true | -0.089208 | -0.597006 |
['F', 'Li', 'V']
|
mp-755653
|
LiFeF5
| 3 | true | -0.529496 | 0.572265 | -0.509284 | false | -0.322555 | -0.775172 |
['F', 'Fe', 'Li']
|
mp-755889
|
LiV2F7
| 3 | false | -1.293185 | 0.226474 | 0.620045 | true | -0.410847 | -0.498726 |
['F', 'Li', 'V']
|
mp-756012
|
LiVF4
| 3 | false | -1.28712 | 0.297514 | 0.778486 | true | -0.606525 | -0.786675 |
['F', 'Li', 'V']
|
mp-756188
|
LiCu3O4
| 3 | false | 0.905875 | 0.544591 | -0.868213 | false | 1.186353 | -0.783994 |
['Cu', 'Li', 'O']
|
mp-756332
|
LiCr2O3
| 3 | false | -0.207986 | -0.259831 | -0.868213 | false | 0.50352 | -0.899666 |
['Cr', 'Li', 'O']
|
mp-755801
|
LiVF4
| 3 | false | -1.369988 | 0.27566 | 0.576508 | true | -0.633809 | -0.780107 |
['F', 'Li', 'V']
|
mp-756100
|
LiFeF4
| 3 | true | -0.848162 | 0.442966 | 1.620862 | true | -0.598151 | -0.77219 |
['F', 'Fe', 'Li']
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.