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-1232999
|
LiO8
| 2 | false | 1.720359 | 0.654797 | -0.765226 | false | -1.181862 | -0.911997 |
['Li', 'O']
|
mp-1236127
|
LiO8
| 2 | false | 1.719137 | 0.654475 | -0.808019 | false | -1.237528 | -0.897719 |
['Li', 'O']
|
mp-1546006
|
LiS4
| 2 | false | 1.90253 | 0.036938 | 0.626478 | true | -2.352166 | 4.289055 |
['Li', 'S']
|
mp-995393
|
LiS4
| 2 | false | 1.499043 | 0.862733 | 0.620655 | true | -2.367226 | 4.875701 |
['Li', 'S']
|
mp-569073
|
LiSn
| 2 | false | 1.813196 | 1.158327 | -0.868213 | false | 0.894787 | -0.882882 |
['Li', 'Sn']
|
mp-1001825
|
LiBe
| 2 | false | 2.35539 | 1.340512 | -0.868213 | false | -1.715112 | -1.109235 |
['Be', 'Li']
|
mp-2475638
|
LiBe
| 2 | false | 2.350128 | 1.339125 | -0.868213 | false | -1.734839 | -1.10595 |
['Be', 'Li']
|
mp-1057216
|
LiS
| 2 | false | 1.208599 | 0.980194 | -0.868213 | false | -1.217245 | -1.141286 |
['Li', 'S']
|
mp-1103120
|
LiB11
| 2 | false | 2.890774 | 0.289526 | -0.868213 | false | -0.819361 | -0.999194 |
['B', 'Li']
|
mp-1101854
|
LiB11
| 2 | false | 2.98076 | 0.313258 | -0.868213 | false | -0.832948 | -0.997257 |
['B', 'Li']
|
mp-1094135
|
LiO2
| 2 | false | 1.281536 | 0.735016 | -0.868213 | false | -0.937244 | -1.079202 |
['Li', 'O']
|
mp-1094600
|
LiMg2
| 2 | false | 2.141169 | 1.066134 | -0.868213 | false | -1.553933 | -0.865001 |
['Li', 'Mg']
|
mp-1094568
|
LiMg
| 2 | false | 2.13725 | 1.151303 | -0.868213 | false | -1.681603 | -0.995881 |
['Li', 'Mg']
|
mp-1235252
|
LiO8
| 2 | false | 1.712021 | 0.652599 | -0.868213 | false | -1.1739 | -0.913942 |
['Li', 'O']
|
mp-1236522
|
LiO8
| 2 | false | 1.778937 | 0.670246 | -0.683569 | false | -1.320927 | -0.873825 |
['Li', 'O']
|
mp-2659
|
LiN3
| 2 | false | 1.945267 | -0.107861 | 1.593981 | true | -1.218036 | -1.11649 |
['Li', 'N']
|
mp-973455
|
LiMg2
| 2 | false | 2.122085 | 1.061101 | -0.868213 | false | -1.516274 | -0.879155 |
['Li', 'Mg']
|
mp-976262
|
LiMg
| 2 | false | 2.126592 | 1.148492 | -0.868213 | false | -1.657806 | -0.884906 |
['Li', 'Mg']
|
mp-1180520
|
LiS
| 2 | false | 1.101484 | 0.951945 | -0.5774 | false | -1.423688 | -0.777006 |
['Li', 'S']
|
mp-1180489
|
LiN
| 2 | false | 3.229273 | 0.719815 | -0.868213 | false | -1.605512 | -0.940665 |
['Li', 'N']
|
mp-1094673
|
LiMg
| 2 | false | 2.115034 | 1.145444 | -0.868213 | false | -1.653778 | -1.120956 |
['Li', 'Mg']
|
mp-1222412
|
LiB3
| 2 | false | 1.993844 | 0.292818 | -0.781409 | false | -1.329246 | -1.024032 |
['B', 'Li']
|
mp-22902
|
LiBi
| 2 | false | 1.714962 | -6.842357 | -0.868213 | false | 2.521936 | -1.100466 |
['Bi', 'Li']
|
mp-1222413
|
LiB3
| 2 | false | 1.857575 | 0.25688 | -0.805988 | false | -1.319208 | -0.813528 |
['B', 'Li']
|
mp-1094567
|
LiMg3
| 2 | false | 2.156854 | 1.027169 | -0.868213 | false | -1.498359 | -0.984691 |
['Li', 'Mg']
|
mp-1183341
|
Ba3Li
| 2 | false | 2.295637 | 1.588122 | -0.868213 | false | -0.39193 | -0.603375 |
['Ba', 'Li']
|
mp-1184918
|
K3Li
| 2 | false | 2.306483 | 0.664277 | -0.868213 | false | -1.915281 | -0.566985 |
['K', 'Li']
|
mp-1185411
|
LiEu3
| 2 | false | 2.277938 | -6.416169 | -0.868213 | false | 0.806411 | -0.790316 |
['Eu', 'Li']
|
mp-1185266
|
LiNi3
| 2 | true | 2.240279 | -0.650894 | -0.868213 | false | 2.331506 | -1.116854 |
['Li', 'Ni']
|
mp-1185337
|
LiHg3
| 2 | false | 1.965002 | -8.859105 | -0.868213 | false | 5.15556 | -0.983371 |
['Hg', 'Li']
|
mp-1185469
|
LiYb3
| 2 | false | 2.411686 | -5.947523 | -0.868213 | false | 2.708865 | -0.914721 |
['Li', 'Yb']
|
mp-1185275
|
LiPb3
| 2 | false | 2.044572 | 1.131587 | -0.868213 | false | 3.732772 | -0.915105 |
['Li', 'Pb']
|
mp-1185471
|
LiTb3
| 2 | false | 2.37216 | -4.80397 | -0.868213 | false | 2.114161 | -0.9025 |
['Li', 'Tb']
|
mp-1185257
|
LiY3
| 2 | false | 2.384513 | -2.425963 | -0.868213 | false | 0.0347 | -0.893031 |
['Li', 'Y']
|
mp-1185332
|
LiGa3
| 2 | false | 1.997442 | -0.597658 | -0.868213 | false | 1.212184 | -1.051844 |
['Ga', 'Li']
|
mp-1185336
|
LiGe3
| 2 | false | 2.17784 | 0.968625 | -0.868213 | false | 0.934697 | -1.028681 |
['Ge', 'Li']
|
mp-1185253
|
LiTl3
| 2 | false | 2.08245 | -9.657554 | -0.868213 | false | 4.076179 | -0.936068 |
['Li', 'Tl']
|
mp-1185455
|
LiRh3
| 2 | false | 2.085223 | -3.336739 | -0.868213 | false | 3.886167 | -1.079806 |
['Li', 'Rh']
|
mp-1185461
|
LiSn3
| 2 | false | 2.029592 | 1.063023 | -0.868213 | false | 1.59274 | -0.95419 |
['Li', 'Sn']
|
mp-1185431
|
LiSi3
| 2 | false | 2.431998 | 0.861067 | -0.868213 | false | -0.720244 | -1.0746 |
['Li', 'Si']
|
mp-862716
|
LiAg3
| 2 | false | 2.030007 | -2.746266 | -0.868213 | false | 3.029644 | -1.046696 |
['Ag', 'Li']
|
mp-865939
|
LiMg2
| 2 | false | 2.110372 | 1.058012 | -0.868213 | false | -1.508842 | -1.059986 |
['Li', 'Mg']
|
mp-862658
|
LiCu3
| 2 | false | 2.159303 | -0.425279 | -0.868213 | false | 2.226627 | -1.104306 |
['Cu', 'Li']
|
mp-972285
|
Sr3Li
| 2 | false | 2.275894 | -1.33001 | -0.868213 | false | -0.942561 | -0.685635 |
['Li', 'Sr']
|
mp-973748
|
LiIn3
| 2 | false | 1.955922 | -3.03188 | -0.868213 | false | 1.728982 | -0.972157 |
['In', 'Li']
|
mp-973741
|
LiHo3
| 2 | false | 2.389656 | -5.159482 | -0.868213 | false | 2.303199 | -0.903675 |
['Ho', 'Li']
|
mp-974959
|
Rb3Li
| 2 | false | 2.334174 | 1.802501 | -0.868213 | false | -1.459983 | -0.432883 |
['Li', 'Rb']
|
mp-975906
|
LiAl3
| 2 | false | 2.086349 | 0.450883 | -0.868213 | false | -0.981903 | -1.053536 |
['Al', 'Li']
|
mp-975909
|
LiAu3
| 2 | false | 1.756402 | -9.178985 | -0.868213 | false | 7.583201 | -1.048112 |
['Au', 'Li']
|
mp-976272
|
LiCa3
| 2 | false | 2.248883 | 0.427117 | -0.868213 | false | -1.569806 | -0.8038 |
['Ca', 'Li']
|
mp-7943
|
LiAs
| 2 | false | 1.524574 | -0.539098 | -0.645787 | false | 0.019958 | -0.407421 |
['As', 'Li']
|
mp-9588
|
LiP
| 2 | false | 1.493265 | 0.280357 | -0.320103 | false | -1.154608 | -0.519756 |
['Li', 'P']
|
mp-1018026
|
LiAg
| 2 | false | 1.988883 | -1.381147 | -0.868213 | false | 1.37445 | -1.04847 |
['Ag', 'Li']
|
mp-13444
|
LiSn
| 2 | false | 1.813396 | 1.15838 | -0.868213 | false | 0.815603 | -0.510693 |
['Li', 'Sn']
|
mp-8490
|
LiGe
| 2 | false | 1.899521 | 1.092097 | -0.868213 | false | 0.324561 | -0.697575 |
['Ge', 'Li']
|
mp-27687
|
LiP7
| 2 | false | 1.961902 | -0.315838 | 0.274861 | true | -1.045501 | 2.685459 |
['Li', 'P']
|
mp-1094570
|
LiMg2
| 2 | false | 2.145128 | 1.067178 | -0.868213 | false | -1.543609 | -0.868991 |
['Li', 'Mg']
|
mp-1094605
|
LiMg2
| 2 | false | 2.146682 | 1.067588 | -0.868213 | false | -1.550225 | -0.866444 |
['Li', 'Mg']
|
mp-1094592
|
LiMg
| 2 | false | 2.159197 | 1.157091 | -0.868213 | false | -1.692825 | -0.869751 |
['Li', 'Mg']
|
mp-1180507
|
LiB11
| 2 | false | 2.29627 | 0.132738 | -0.868213 | false | -0.911772 | -0.98537 |
['B', 'Li']
|
mp-1094559
|
LiMg2
| 2 | false | 2.161595 | 1.071521 | -0.868213 | false | -1.56691 | -0.859862 |
['Li', 'Mg']
|
mp-1094853
|
LiMg
| 2 | false | 2.161993 | 1.157828 | -0.868213 | false | -1.704335 | -0.989038 |
['Li', 'Mg']
|
mp-2750540
|
LiTe3
| 2 | false | 1.676715 | -3.723232 | -0.523164 | false | 1.116329 | 2.900328 |
['Li', 'Te']
|
mp-1094129
|
LiO2
| 2 | false | 1.583668 | 0.814697 | -0.818108 | false | -1.013466 | -1.154626 |
['Li', 'O']
|
mp-1094578
|
LiMg
| 2 | false | 2.146611 | 1.153772 | -0.868213 | false | -1.684543 | -1.116583 |
['Li', 'Mg']
|
mp-1222403
|
LiAu
| 2 | false | 1.703458 | -5.696796 | -0.868213 | false | 4.505102 | -1.144889 |
['Au', 'Li']
|
mp-1105976
|
LiB9
| 2 | false | 2.190055 | 0.12871 | -0.868213 | false | -0.892386 | -0.824462 |
['B', 'Li']
|
mp-1185319
|
LiCl
| 2 | false | -0.052796 | 0.286025 | 3.016493 | true | -1.399572 | -0.992997 |
['Cl', 'Li']
|
mp-1185301
|
LiF
| 2 | false | -1.309842 | 0.393559 | -0.868213 | false | -1.033058 | -1.125395 |
['F', 'Li']
|
mp-570935
|
LiI
| 2 | false | 0.6069 | 1.200782 | 2.098689 | true | -0.230658 | -0.861239 |
['I', 'Li']
|
mp-976280
|
LiBr
| 2 | false | 0.151901 | 1.064402 | 2.473123 | true | -0.568732 | -0.950984 |
['Br', 'Li']
|
mp-1023493
|
LiMg15
| 2 | false | 2.173918 | 0.934691 | -0.868213 | false | -1.352237 | -0.207917 |
['Li', 'Mg']
|
mp-1016274
|
LiMg7
| 2 | false | 2.165967 | 0.96492 | -0.868213 | false | -1.39215 | -0.729562 |
['Li', 'Mg']
|
mp-1094580
|
LiMg
| 2 | false | 2.163188 | 1.158143 | -0.868213 | false | -1.705418 | -0.863979 |
['Li', 'Mg']
|
mp-1094581
|
LiMg2
| 2 | false | 2.152895 | 1.069226 | -0.868213 | false | -1.550607 | -0.866296 |
['Li', 'Mg']
|
mp-1094588
|
LiMg5
| 2 | false | 2.159742 | 0.984829 | -0.868213 | false | -1.427445 | -0.857137 |
['Li', 'Mg']
|
mp-11807
|
LiPt
| 2 | false | 1.451203 | -5.894289 | -0.868213 | false | 5.721978 | -1.15941 |
['Li', 'Pt']
|
mp-1094665
|
LiMg3
| 2 | false | 2.149187 | 1.025147 | -0.868213 | false | -1.487656 | -0.987347 |
['Li', 'Mg']
|
mp-1094982
|
LiMg
| 2 | false | 2.151383 | 1.15503 | -0.868213 | false | -1.684513 | -1.116588 |
['Li', 'Mg']
|
mp-1185249
|
LiU
| 2 | false | 2.546163 | -9.733493 | -0.868213 | false | 4.381353 | -1.124096 |
['Li', 'U']
|
mp-1185271
|
LiPa
| 2 | false | 2.478795 | -9.30356 | -0.868213 | false | 3.313153 | -1.107024 |
['Li', 'Pa']
|
mp-1185402
|
LiMn
| 2 | true | 2.586085 | -0.255637 | -0.868213 | false | 0.112926 | -1.16244 |
['Li', 'Mn']
|
mp-1222405
|
LiCd3
| 2 | false | 2.051958 | -2.46827 | -0.868213 | false | 2.232908 | -1.005309 |
['Cd', 'Li']
|
mp-1222288
|
LiZn3
| 2 | false | 2.077165 | -0.025605 | -0.868213 | false | 1.258154 | -1.065138 |
['Li', 'Zn']
|
mp-279
|
LiIr
| 2 | false | 1.859155 | -5.913152 | -0.868213 | false | 5.816464 | -1.161408 |
['Ir', 'Li']
|
mp-866755
|
LiMg149
| 2 | false | 2.17946 | 0.907275 | -0.481794 | false | -1.309758 | 8.467177 |
['Li', 'Mg']
|
mp-2744
|
LiPd
| 2 | false | 1.713313 | -1.686605 | -0.868213 | false | 2.081147 | -1.158923 |
['Li', 'Pd']
|
mp-600561
|
LiRh
| 2 | false | 1.967067 | -1.790257 | -0.868213 | false | 2.115964 | -1.161957 |
['Li', 'Rh']
|
mp-973948
|
LiHf
| 2 | false | 2.525858 | -4.691641 | -0.868213 | false | 2.457262 | -1.118369 |
['Hf', 'Li']
|
mp-1094156
|
LiMg2
| 2 | false | 2.149798 | 1.068409 | -0.868213 | false | -1.546988 | -0.867694 |
['Li', 'Mg']
|
mp-1094558
|
LiMg5
| 2 | false | 2.155133 | 0.983614 | -0.868213 | false | -1.425037 | -0.857983 |
['Li', 'Mg']
|
mp-1021323
|
LiC12
| 2 | false | 2.166692 | -0.404133 | -0.868213 | false | -1.00451 | -0.916043 |
['C', 'Li']
|
mp-1001581
|
LiC6
| 2 | false | 2.169697 | -0.263309 | -0.868213 | false | -1.013527 | -1.068681 |
['C', 'Li']
|
mp-1001835
|
LiB
| 2 | false | 1.924511 | 0.634291 | -0.868213 | false | -1.594908 | -1.113561 |
['B', 'Li']
|
mp-1025406
|
LiP3
| 2 | false | 2.497853 | 0.065437 | -0.868213 | false | -0.733268 | -0.877346 |
['Li', 'P']
|
mp-1078753
|
LiTl
| 2 | false | 2.0843 | -5.972728 | -0.868213 | false | 2.140099 | -0.654873 |
['Li', 'Tl']
|
mp-1079240
|
LiAl
| 2 | false | 2.037642 | 0.753239 | -0.868213 | false | -1.496737 | -0.808166 |
['Al', 'Li']
|
mp-1079267
|
LiHg3
| 2 | false | 1.950778 | -8.862857 | -0.868213 | false | 5.266796 | -0.735883 |
['Hg', 'Li']
|
mp-1094582
|
LiMg2
| 2 | false | 2.152485 | 1.069118 | -0.868213 | false | -1.556146 | -0.864134 |
['Li', 'Mg']
|
mp-1094602
|
LiMg3
| 2 | false | 2.145283 | 1.024117 | -0.868213 | false | -1.481549 | -0.739525 |
['Li', 'Mg']
|
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