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-1185338
|
LiCu3
| 2 | false | 2.16855 | -0.42284 | -0.868213 | false | 2.22823 | -0.970553 |
['Cu', 'Li']
|
mp-1185352
|
LiGa3
| 2 | false | 2.008059 | -0.594858 | -0.868213 | false | 1.184459 | -0.862742 |
['Ga', 'Li']
|
mp-1185348
|
LiF3
| 2 | false | 0.582402 | 0.838969 | -0.868213 | false | -0.705034 | -1.010762 |
['F', 'Li']
|
mp-1185345
|
LiEr3
| 2 | false | 2.3749 | -5.390579 | -0.868213 | false | 2.452294 | -0.58027 |
['Er', 'Li']
|
mp-1185355
|
LiEu3
| 2 | false | 2.262014 | -6.420368 | -0.868213 | false | 0.793531 | -0.33899 |
['Eu', 'Li']
|
mp-1185470
|
LiYb3
| 2 | false | 2.357565 | -5.961796 | -0.868213 | false | 2.720907 | -0.592782 |
['Li', 'Yb']
|
mp-1185342
|
LiAg3
| 2 | false | 2.039093 | -2.74387 | -0.868213 | false | 3.009052 | -0.853813 |
['Ag', 'Li']
|
mp-1185384
|
LiHo3
| 2 | false | 2.377258 | -5.162751 | -0.868213 | false | 2.291453 | -0.567565 |
['Ho', 'Li']
|
mp-1185340
|
LiDy3
| 2 | false | 2.380478 | -4.966152 | -0.868213 | false | 2.1796 | -0.561545 |
['Dy', 'Li']
|
mp-1185333
|
LiAu3
| 2 | false | 1.757542 | -9.178684 | -0.868213 | false | 7.623134 | -0.859573 |
['Au', 'Li']
|
mp-1185350
|
LiCa3
| 2 | false | 2.246368 | 0.426453 | -0.868213 | false | -1.597182 | -0.343373 |
['Ca', 'Li']
|
mp-1185477
|
LiTe3
| 2 | false | 1.676719 | 1.158469 | -0.868213 | false | 0.883164 | -0.500994 |
['Li', 'Te']
|
mp-1185526
|
LiGd3
| 2 | false | 2.330609 | -7.463374 | -0.868213 | false | 1.920238 | -0.54474 |
['Gd', 'Li']
|
mp-1187126
|
Sr3Li
| 2 | false | 2.250927 | -1.336594 | -0.868213 | false | -0.916575 | -0.151153 |
['Li', 'Sr']
|
mp-1206724
|
LiAs3
| 2 | false | 2.169514 | -1.262723 | -0.868213 | false | 0.93192 | -0.806111 |
['As', 'Li']
|
mp-568273
|
LiI
| 2 | false | 0.638654 | 1.209157 | 1.997192 | true | 0.266241 | -0.928721 |
['I', 'Li']
|
mp-865612
|
LiCd3
| 2 | false | 1.959705 | -2.4926 | -0.868213 | false | 2.363522 | -0.784951 |
['Cd', 'Li']
|
mp-972125
|
LiTb3
| 2 | false | 2.381653 | -4.801466 | -0.868213 | false | 2.018586 | -0.55268 |
['Li', 'Tb']
|
mp-973493
|
LiLu3
| 2 | false | 2.365519 | -6.297104 | -0.868213 | false | 2.873736 | -0.604214 |
['Li', 'Lu']
|
mp-973415
|
LiLa3
| 2 | false | 2.331169 | -4.492356 | -0.868213 | false | 1.151399 | -0.495563 |
['La', 'Li']
|
mp-975799
|
LiZn3
| 2 | false | 1.996505 | -0.046877 | -0.868213 | false | 1.582653 | -0.919569 |
['Li', 'Zn']
|
mp-975321
|
LiSi3
| 2 | false | 2.417514 | 0.857247 | -0.868213 | false | -0.778875 | -0.899967 |
['Li', 'Si']
|
mp-975649
|
LiTm3
| 2 | false | 2.37156 | -5.651638 | -0.868213 | false | 2.557669 | -0.587588 |
['Li', 'Tm']
|
mp-1059612
|
LiN
| 2 | false | 3.262674 | 0.728624 | -0.868213 | false | -1.599571 | -1.164264 |
['Li', 'N']
|
mp-1103613
|
LiB11
| 2 | false | 2.444214 | 0.171755 | -0.868213 | false | -0.877779 | -0.990637 |
['B', 'Li']
|
mp-1103394
|
LiB11
| 2 | false | 3.029457 | 0.326101 | -0.868213 | false | -0.853705 | -0.994237 |
['B', 'Li']
|
mp-1009009
|
LiF
| 2 | false | -1.020346 | 0.469907 | 4.250163 | false | -0.792257 | -1.18968 |
['F', 'Li']
|
mp-1058798
|
LiBe
| 2 | false | 2.574353 | 1.398259 | -0.868213 | false | -1.712128 | -1.173933 |
['Be', 'Li']
|
mp-1094670
|
LiMg3
| 2 | false | 2.163084 | 1.028812 | -0.868213 | false | -1.476513 | -0.990053 |
['Li', 'Mg']
|
mp-10890
|
LiAl3
| 2 | false | 2.069072 | 0.446327 | -0.868213 | false | -0.980313 | -1.053728 |
['Al', 'Li']
|
mp-1094889
|
LiMg
| 2 | false | 2.121435 | 1.147132 | -0.868213 | false | -1.638642 | -1.122994 |
['Li', 'Mg']
|
mp-11248
|
LiAu3
| 2 | false | 1.75174 | -9.180214 | -0.868213 | false | 7.640912 | -1.049192 |
['Au', 'Li']
|
mp-1184845
|
K3Li
| 2 | false | 2.301082 | 0.662853 | -0.868213 | false | -1.926415 | -0.554161 |
['K', 'Li']
|
mp-1185395
|
LiPm3
| 2 | false | 2.342976 | -4.444814 | -0.868213 | false | 1.417209 | -0.877053 |
['Li', 'Pm']
|
mp-1185287
|
LiAc3
| 2 | false | 2.355217 | -12.949482 | -0.868213 | false | 2.239108 | -0.773351 |
['Ac', 'Li']
|
mp-1185429
|
LiTb3
| 2 | false | 2.378679 | -4.802251 | -0.868213 | false | 2.07398 | -0.899557 |
['Li', 'Tb']
|
mp-1185300
|
LiAg3
| 2 | false | 2.039637 | -2.743727 | -0.868213 | false | 3.033194 | -1.046818 |
['Ag', 'Li']
|
mp-1185312
|
LiCu3
| 2 | false | 2.166085 | -0.42349 | -0.868213 | false | 2.22042 | -1.10413 |
['Cu', 'Li']
|
mp-1185343
|
LiCe3
| 2 | false | 2.463068 | -4.696039 | -0.868213 | false | 1.949791 | -0.930725 |
['Ce', 'Li']
|
mp-1185406
|
LiPr3
| 2 | false | 2.327623 | -4.419125 | -0.868213 | false | 1.150804 | -0.86153 |
['Li', 'Pr']
|
mp-1185451
|
LiSm3
| 2 | false | 2.351316 | -4.484463 | -0.868213 | false | 1.656381 | -0.885402 |
['Li', 'Sm']
|
mp-1185237
|
LiW3
| 2 | false | 2.715967 | -9.096273 | -0.868213 | false | 7.669175 | -1.062129 |
['Li', 'W']
|
mp-1185240
|
LiY3
| 2 | false | 2.389256 | -2.424712 | -0.868213 | false | 0.041516 | -0.893953 |
['Li', 'Y']
|
mp-1185416
|
LiSb3
| 2 | false | 2.102897 | -3.673745 | -0.868213 | false | 1.518382 | -0.941659 |
['Li', 'Sb']
|
mp-1206794
|
LiAu
| 2 | false | 1.552682 | -5.73656 | -0.868213 | false | 5.206455 | -1.153366 |
['Au', 'Li']
|
mp-1211148
|
LiPb3
| 2 | false | 2.471334 | 1.244137 | -0.868213 | false | 2.510629 | -0.836454 |
['Li', 'Pb']
|
mp-2012
|
LiHg
| 2 | false | 1.758006 | -5.505833 | -0.868213 | false | 3.892232 | -1.134144 |
['Hg', 'Li']
|
mp-2314
|
LiPb
| 2 | false | 1.872593 | 1.217068 | -0.868213 | false | 2.91105 | -1.111404 |
['Li', 'Pb']
|
mp-2426
|
LiAg
| 2 | false | 1.973178 | -1.385289 | -0.868213 | false | 1.675208 | -1.150126 |
['Ag', 'Li']
|
mp-2743
|
LiPd
| 2 | false | 1.736976 | -1.680364 | -0.868213 | false | 2.343616 | -1.163208 |
['Li', 'Pd']
|
mp-861936
|
LiPd3
| 2 | false | 1.887875 | -3.132924 | -0.868213 | false | 3.834839 | -1.073193 |
['Li', 'Pd']
|
mp-861931
|
LiPt3
| 2 | false | 1.642044 | -9.405594 | -0.868213 | false | 8.978481 | -1.072771 |
['Li', 'Pt']
|
mp-863257
|
LiGa3
| 2 | false | 1.901605 | -0.622933 | -0.868213 | false | 1.044352 | -1.043045 |
['Ga', 'Li']
|
mp-863027
|
LiIn3
| 2 | false | 1.939436 | -3.036228 | -0.868213 | false | 1.791058 | -0.975997 |
['In', 'Li']
|
mp-934
|
LiTl
| 2 | false | 1.890502 | -6.023838 | -0.868213 | false | 3.25341 | -1.120502 |
['Li', 'Tl']
|
mp-973732
|
LiHo3
| 2 | false | 2.391963 | -5.158873 | -0.868213 | false | 2.338548 | -0.906114 |
['Ho', 'Li']
|
mp-973191
|
LiTl3
| 2 | false | 2.076253 | -9.659188 | -0.868213 | false | 4.128546 | -0.938451 |
['Li', 'Tl']
|
mp-974060
|
LiDy3
| 2 | false | 2.385936 | -4.964713 | -0.868213 | false | 2.212926 | -0.902234 |
['Dy', 'Li']
|
mp-974938
|
Rb3Li
| 2 | false | 2.331396 | 1.801768 | -0.868213 | false | -1.467071 | -0.427406 |
['Li', 'Rb']
|
mp-976424
|
LiLa3
| 2 | false | 2.334234 | -4.491548 | -0.868213 | false | 1.002135 | -0.851072 |
['La', 'Li']
|
mp-976599
|
LiHg3
| 2 | false | 1.983176 | -8.854312 | -0.868213 | false | 5.275758 | -0.987305 |
['Hg', 'Li']
|
mp-1079855
|
LiPd7
| 2 | false | 1.99519 | -3.8508 | -0.868213 | false | 4.602377 | -0.898967 |
['Li', 'Pd']
|
mp-1097725
|
LiO2
| 2 | false | 1.687655 | 0.842121 | -0.868213 | false | -0.771318 | -1.166264 |
['Li', 'O']
|
mp-1138
|
LiF
| 2 | false | -1.336693 | 0.386477 | 5.033428 | false | -0.817887 | -1.188945 |
['F', 'Li']
|
mp-1094603
|
LiMg3
| 2 | false | 2.15054 | 1.025504 | -0.868213 | false | -1.460978 | -0.260473 |
['Li', 'Mg']
|
mp-1184876
|
K3Li
| 2 | false | 2.296362 | 0.661608 | -0.868213 | false | -1.903503 | -0.580039 |
['K', 'Li']
|
mp-1185245
|
LiY3
| 2 | false | 2.383912 | -2.426121 | -0.868213 | false | 0.051186 | -0.895253 |
['Li', 'Y']
|
mp-1185480
|
LiPu3
| 2 | false | 3.044207 | -16.623591 | -0.868213 | false | 8.701185 | -1.026685 |
['Li', 'Pu']
|
mp-1185274
|
LiNp3
| 2 | false | 2.655896 | -16.000891 | -0.868213 | false | 10.034421 | -1.054532 |
['Li', 'Np']
|
mp-1185410
|
LiRe3
| 2 | false | 2.399364 | -9.4067 | -0.868213 | false | 8.520909 | -1.073656 |
['Li', 'Re']
|
mp-22899
|
LiI
| 2 | false | 0.638519 | 1.209121 | 1.996312 | true | 0.285719 | -1.084514 |
['I', 'Li']
|
mp-22905
|
LiCl
| 2 | false | -0.056803 | 0.284968 | 3.36364 | true | -1.077119 | -1.143175 |
['Cl', 'Li']
|
mp-23259
|
LiBr
| 2 | false | 0.162788 | 1.067274 | 2.465404 | true | -0.121434 | -1.121465 |
['Br', 'Li']
|
mp-23703
|
LiH
| 2 | false | 1.633323 | 1.122013 | 1.150212 | true | -1.964807 | -1.191299 |
['H', 'Li']
|
mp-30765
|
LiPt7
| 2 | false | 1.839865 | -11.13424 | -0.868213 | false | 10.329462 | -0.895185 |
['Li', 'Pt']
|
mp-32641
|
LiS
| 2 | false | 1.341771 | 1.015316 | -0.868213 | false | -1.143015 | -1.14655 |
['Li', 'S']
|
mp-865907
|
LiZn3
| 2 | false | 1.990613 | -0.048431 | -0.868213 | false | 1.620419 | -1.080316 |
['Li', 'Zn']
|
mp-973824
|
LiHg3
| 2 | false | 1.979109 | -8.855385 | -0.868213 | false | 5.183425 | -0.984294 |
['Hg', 'Li']
|
mp-973940
|
LiCd3
| 2 | false | 1.977116 | -2.488008 | -0.868213 | false | 2.364243 | -1.011584 |
['Cd', 'Li']
|
mp-974058
|
LiCu3
| 2 | false | 2.187425 | -0.417862 | -0.868213 | false | 2.205851 | -1.103716 |
['Cu', 'Li']
|
mp-974950
|
Rb3Li
| 2 | false | 2.329603 | 1.801295 | -0.868213 | false | -1.439067 | -0.448623 |
['Li', 'Rb']
|
mp-980190
|
LiYb3
| 2 | false | 2.380122 | -5.955847 | -0.868213 | false | 2.913589 | -0.926931 |
['Li', 'Yb']
|
mp-1193737
|
LiZn13
| 2 | false | 2.109591 | -0.355069 | -0.868213 | false | 1.860161 | 0.020708 |
['Li', 'Zn']
|
mp-1067
|
LiAl
| 2 | false | 1.942344 | 0.728106 | -0.868213 | false | -1.319829 | -1.055138 |
['Al', 'Li']
|
mp-1001831
|
LiB
| 2 | false | 2.342064 | 0.744411 | 0.300794 | true | -1.106348 | -1.156953 |
['B', 'Li']
|
mp-1211134
|
LiAl2
| 2 | false | 2.421458 | 0.644328 | -0.868213 | false | -1.283211 | -0.600627 |
['Al', 'Li']
|
mp-1211157
|
LiCa4
| 2 | false | 2.515714 | 0.430005 | -0.868213 | false | -1.597529 | -0.060944 |
['Ca', 'Li']
|
mp-1210887
|
LiGa2
| 2 | false | 2.075007 | -0.358235 | -0.868213 | false | 0.271313 | -0.56254 |
['Ga', 'Li']
|
mp-1210993
|
LiIn2
| 2 | false | 2.096484 | -2.506591 | -0.868213 | false | 1.12582 | -0.402969 |
['In', 'Li']
|
mp-1210982
|
LiZn2
| 2 | false | 2.273043 | 0.183795 | -0.868213 | false | 0.350572 | -0.619982 |
['Li', 'Zn']
|
mp-1222271
|
LiSi
| 2 | false | 2.305502 | 1.082775 | -0.868213 | false | -1.217542 | -1.064148 |
['Li', 'Si']
|
mp-1307
|
LiGa
| 2 | false | 1.75378 | -0.005019 | -0.868213 | false | 0.400324 | -1.069083 |
['Ga', 'Li']
|
mp-1437
|
LiCd
| 2 | false | 1.868334 | -1.231468 | -0.868213 | false | 1.070254 | -1.024206 |
['Cd', 'Li']
|
mp-1934
|
LiZn
| 2 | false | 1.929552 | 0.408689 | -0.868213 | false | 0.372151 | -1.077037 |
['Li', 'Zn']
|
mp-22460
|
LiIn
| 2 | false | 1.768713 | -1.616596 | -0.868213 | false | 0.906363 | -1.009419 |
['In', 'Li']
|
mp-30764
|
LiPt2
| 2 | false | 1.626105 | -8.222586 | -0.868213 | false | 6.272188 | -0.947998 |
['Li', 'Pt']
|
mp-27466
|
LiTe3
| 2 | false | 1.404876 | 1.086776 | -0.716746 | false | 1.106614 | 2.911447 |
['Li', 'Te']
|
mp-1016222
|
LiMg3
| 2 | false | 2.149148 | 1.025137 | -0.868213 | false | -1.485657 | -0.987837 |
['Li', 'Mg']
|
mp-2412
|
LiP5
| 2 | false | 1.908707 | -0.24989 | 0.057581 | true | -0.947605 | 0.091586 |
['Li', 'P']
|
mp-32760
|
LiP5
| 2 | false | 2.006196 | -0.22418 | -0.491476 | false | -0.98342 | 0.1228 |
['Li', 'P']
|
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