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-1235641
|
LiNd2O6
| 3 | false | -0.268934 | 0.141758 | -0.868213 | false | 0.664706 | -0.842503 |
['Li', 'Nd', 'O']
|
mp-1236316
|
LiNd2O6
| 3 | false | 0.087433 | 0.235743 | -0.868213 | false | 0.154422 | -0.766705 |
['Li', 'Nd', 'O']
|
mp-1238813
|
Li(CrS2)2
| 3 | false | 1.01222 | 0.240216 | -0.868213 | false | -0.065928 | -0.924072 |
['Cr', 'Li', 'S']
|
mp-1246778
|
LiCdN
| 3 | false | 2.387961 | -0.889671 | -0.868213 | false | 0.201371 | -0.606787 |
['Cd', 'Li', 'N']
|
mp-1273137
|
LiV3O4
| 3 | false | -0.34391 | -0.327375 | -0.789128 | false | 0.614813 | -0.778568 |
['Li', 'O', 'V']
|
mp-1274433
|
LiV3O4
| 3 | false | -0.341965 | -0.326862 | -0.856973 | false | 0.655171 | -0.78443 |
['Li', 'O', 'V']
|
mp-1273274
|
LiNi3O4
| 3 | true | 0.681015 | 0.302395 | -0.800165 | false | 1.27024 | -0.818789 |
['Li', 'Ni', 'O']
|
mp-1273834
|
Li(CoO2)2
| 3 | true | 0.595174 | 0.204874 | -0.477393 | false | 0.500513 | -0.835641 |
['Co', 'Li', 'O']
|
mp-1282881
|
Li(CoO2)4
| 3 | true | 0.749355 | 0.173461 | -0.534743 | false | 0.433226 | -0.429858 |
['Co', 'Li', 'O']
|
mp-1285961
|
Li(CoO2)3
| 3 | true | 0.687562 | 0.182391 | -0.166876 | false | 0.450187 | -0.631643 |
['Co', 'Li', 'O']
|
mp-1281785
|
LiNiO2
| 3 | true | 0.549643 | 0.408151 | -0.868213 | false | 0.630846 | -0.839145 |
['Li', 'Ni', 'O']
|
mp-1287495
|
LiNiO2
| 3 | true | 0.561796 | 0.411356 | -0.868213 | false | 0.674946 | -0.844671 |
['Li', 'Ni', 'O']
|
mp-1307826
|
Li(CoO2)3
| 3 | true | 0.698544 | 0.185287 | -0.868213 | false | 0.460796 | -0.63381 |
['Co', 'Li', 'O']
|
mp-1305141
|
Li(CoO2)4
| 3 | true | 0.793947 | 0.185221 | -0.238107 | false | 0.605677 | -0.474609 |
['Co', 'Li', 'O']
|
mp-1312332
|
LiMn7O12
| 3 | true | 0.036025 | -0.271239 | -0.600218 | false | 0.663431 | -0.05808 |
['Li', 'Mn', 'O']
|
mp-1309364
|
LiFe2O3
| 3 | true | 0.249122 | -0.024861 | 0.176412 | true | 0.582602 | -0.892349 |
['Fe', 'Li', 'O']
|
mp-25258
|
LiNiO2
| 3 | true | 0.584268 | 0.417283 | -0.868213 | false | 0.417656 | -0.810081 |
['Li', 'Ni', 'O']
|
mp-27281
|
LiH3O2
| 3 | false | 0.482344 | 0.602555 | 2.345152 | true | -1.454952 | -0.982738 |
['H', 'Li', 'O']
|
mp-2710672
|
LiVF4
| 3 | false | -1.323782 | 0.287845 | 0.997188 | true | -0.255955 | -0.85692 |
['F', 'Li', 'V']
|
mp-2710677
|
LiVF6
| 3 | false | -1.096378 | 0.434441 | 1.226656 | true | -0.798938 | -0.915737 |
['F', 'Li', 'V']
|
mp-2760269
|
LiNi3O4
| 3 | true | 0.642958 | -0.547864 | -0.868213 | false | 1.437379 | -0.83655 |
['Li', 'Ni', 'O']
|
mp-2767497
|
LiV3O4
| 3 | false | -0.429124 | -1.059949 | -0.868213 | false | 0.869616 | -0.813227 |
['Li', 'O', 'V']
|
mp-2913172
|
LiVF4
| 3 | false | -1.32322 | 0.287994 | 0.685791 | true | -0.721901 | -0.99784 |
['F', 'Li', 'V']
|
mp-34650
|
LiMn3O4
| 3 | true | -0.082641 | -0.26697 | -0.868213 | false | 0.593593 | -0.750632 |
['Li', 'Mn', 'O']
|
mp-505717
|
LiV6O13
| 3 | false | -0.481376 | -0.339759 | -0.542597 | false | -0.073805 | 0.133395 |
['Li', 'O', 'V']
|
mp-554940
|
LiCr3O8
| 3 | false | 0.074424 | -0.145068 | -0.394652 | false | -0.184694 | -0.435104 |
['Cr', 'Li', 'O']
|
mp-546920
|
Li(CO)2
| 3 | false | 0.684287 | -0.036879 | 0.633858 | true | -1.302084 | -0.903469 |
['C', 'Li', 'O']
|
mp-559766
|
Cs3LiF4
| 3 | false | -1.033758 | -2.005878 | 3.006946 | true | 0.507191 | -0.213603 |
['Cs', 'F', 'Li']
|
mp-581678
|
LiEu2Si3
| 3 | false | 1.646318 | 0.098529 | -0.868213 | false | 0.840932 | -0.481388 |
['Eu', 'Li', 'Si']
|
mp-632417
|
LiHO2
| 3 | false | 1.165938 | 0.743684 | -0.868213 | false | -1.382081 | -1.010728 |
['H', 'Li', 'O']
|
mp-632672
|
LiHF2
| 3 | false | -0.222761 | 0.817614 | 4.815877 | false | -0.770789 | -1.153356 |
['F', 'H', 'Li']
|
mp-752921
|
LiMn4O8
| 3 | true | 0.065684 | -0.187948 | -0.479356 | false | 0.176319 | -0.814431 |
['Li', 'Mn', 'O']
|
mp-752790
|
LiFeO3
| 3 | true | 0.639722 | 0.243799 | -0.733809 | false | -0.238587 | -0.925091 |
['Fe', 'Li', 'O']
|
mp-752635
|
Li(CoO2)3
| 3 | true | 0.667476 | 0.177093 | -0.868213 | false | 0.710261 | -0.959394 |
['Co', 'Li', 'O']
|
mp-752549
|
LiAgF2
| 3 | false | -0.166431 | -0.680856 | 0.347582 | true | 0.959004 | -1.096801 |
['Ag', 'F', 'Li']
|
mp-752850
|
LiNiO2
| 3 | true | 0.535207 | 0.404344 | -0.868213 | false | 0.750151 | -0.85375 |
['Li', 'Ni', 'O']
|
mp-753228
|
LiMn3O6
| 3 | true | 0.013402 | -0.171982 | -0.245284 | false | 0.106852 | -0.909794 |
['Li', 'Mn', 'O']
|
mp-754098
|
LiVO3
| 3 | false | -0.376968 | -0.059955 | 0.549153 | true | -0.362456 | -0.921682 |
['Li', 'O', 'V']
|
mp-753722
|
LiCuS2
| 3 | false | 1.322943 | 0.851474 | -0.868213 | false | -0.40664 | -1.032743 |
['Cu', 'Li', 'S']
|
mp-754656
|
LiMnO2
| 3 | true | -0.204529 | -0.036057 | -0.089281 | false | 0.326828 | -1.131953 |
['Li', 'Mn', 'O']
|
mp-754755
|
LiVF4
| 3 | false | -1.330982 | 0.285947 | 0.559716 | true | -0.66173 | -0.773184 |
['F', 'Li', 'V']
|
mp-754766
|
LiVF4
| 3 | false | -1.290514 | 0.296619 | 0.635822 | true | -0.627158 | -1.009937 |
['F', 'Li', 'V']
|
mp-755186
|
LiVF4
| 3 | false | -1.279155 | 0.299615 | 0.574883 | true | -0.713959 | -0.281163 |
['F', 'Li', 'V']
|
mp-755103
|
LiFeF3
| 3 | true | -0.823734 | 0.386048 | 1.283871 | true | -0.351184 | -0.525861 |
['F', 'Fe', 'Li']
|
mp-755547
|
LiVF4
| 3 | false | -1.287168 | 0.297502 | 0.800424 | true | -0.705636 | -0.761864 |
['F', 'Li', 'V']
|
mp-755559
|
LiNbO3
| 3 | false | -0.957579 | -0.272117 | 1.491942 | true | 0.11593 | -0.876784 |
['Li', 'Nb', 'O']
|
mp-756206
|
LiVF4
| 3 | false | -1.295375 | 0.295337 | 0.170995 | true | -0.727684 | -0.27379 |
['F', 'Li', 'V']
|
mp-756951
|
LiSbO3
| 3 | false | -0.094239 | 0.30214 | 1.126446 | true | 0.844252 | -0.900063 |
['Li', 'O', 'Sb']
|
mp-756516
|
LiMnO2
| 3 | true | -0.147556 | -0.021031 | -0.868213 | false | 0.292135 | -0.808102 |
['Li', 'Mn', 'O']
|
mp-758249
|
Li(FeO2)3
| 3 | true | 0.52636 | 0.023534 | -0.868213 | false | 0.063389 | -0.900853 |
['Fe', 'Li', 'O']
|
mp-759499
|
LiMn2F6
| 3 | true | -0.968526 | 0.260845 | -0.697111 | false | -0.222953 | -0.914267 |
['F', 'Li', 'Mn']
|
mp-761164
|
LiNbF5
| 3 | false | -1.224794 | -0.556269 | -0.83341 | false | -0.322992 | -0.094463 |
['F', 'Li', 'Nb']
|
mp-761189
|
LiFeO3
| 3 | true | 0.925281 | 0.319109 | -0.868213 | false | 0.040593 | -0.959369 |
['Fe', 'Li', 'O']
|
mp-770932
|
LiSbO3
| 3 | false | -0.140818 | 0.289856 | 1.044991 | true | 0.889625 | -0.904576 |
['Li', 'O', 'Sb']
|
mp-772535
|
LiNb13O33
| 3 | false | -1.138028 | -0.591828 | 0.321243 | true | 0.282445 | 0.764575 |
['Li', 'Nb', 'O']
|
mp-769702
|
LiMn4O8
| 3 | true | 0.058875 | -0.189744 | -0.868213 | false | 0.121121 | -0.805539 |
['Li', 'Mn', 'O']
|
mp-774235
|
LiCr3O4
| 3 | false | -0.089801 | -0.322285 | -0.811608 | false | 0.402343 | -0.988103 |
['Cr', 'Li', 'O']
|
mp-774467
|
LiVO2
| 3 | false | -0.224815 | -0.035741 | -0.364724 | false | 0.129245 | -1.019569 |
['Li', 'O', 'V']
|
mp-776117
|
LiMnF4
| 3 | true | -1.047979 | 0.356805 | 0.580977 | true | -0.109678 | -1.053812 |
['F', 'Li', 'Mn']
|
mp-777472
|
LiFeF4
| 3 | true | -0.835029 | 0.44643 | 1.791084 | true | -0.65505 | -0.277631 |
['F', 'Fe', 'Li']
|
mp-777595
|
LiFeF4
| 3 | true | -0.870588 | 0.437052 | 1.446848 | true | -0.605092 | -0.770491 |
['F', 'Fe', 'Li']
|
mp-777677
|
LiFeF4
| 3 | true | -0.88585 | 0.433027 | 1.226047 | true | -0.617738 | -0.29658 |
['F', 'Fe', 'Li']
|
mp-777655
|
LiMnF3
| 3 | true | -1.114997 | 0.269077 | 1.490859 | true | -0.499313 | -0.479153 |
['F', 'Li', 'Mn']
|
mp-777674
|
LiFeF4
| 3 | true | -0.883809 | 0.433565 | 1.617476 | true | -0.602495 | -0.304107 |
['F', 'Fe', 'Li']
|
mp-779343
|
LiMnF4
| 3 | true | -0.988726 | 0.372432 | -0.779649 | false | -0.594664 | -0.314007 |
['F', 'Li', 'Mn']
|
mp-861245
|
LiAgF4
| 3 | false | 0.117242 | -0.183141 | -0.868077 | false | 0.418223 | -1.029048 |
['Ag', 'F', 'Li']
|
mp-865631
|
LiNiO2
| 3 | true | 0.523779 | 0.40133 | -0.868213 | false | 0.758589 | -1.046446 |
['Li', 'Ni', 'O']
|
mp-866271
|
LiNiO2
| 3 | true | 0.532723 | 0.403689 | -0.868213 | false | 0.596123 | -0.93555 |
['Li', 'Ni', 'O']
|
mp-9158
|
LiCuO2
| 3 | false | 0.575813 | 0.536982 | -0.654047 | false | 0.570112 | -1.131375 |
['Cu', 'Li', 'O']
|
mp-996992
|
LiAgO2
| 3 | false | 0.981641 | 0.735136 | -0.576046 | false | 1.03764 | -1.10536 |
['Ag', 'Li', 'O']
|
mp-1211283
|
Li(BH)4
| 3 | false | 1.925357 | 0.685826 | 0.290502 | true | -1.799937 | -0.747632 |
['B', 'H', 'Li']
|
mp-1029395
|
LiCrN2
| 3 | false | 1.42545 | -0.133649 | -0.868213 | false | -0.361797 | -0.978343 |
['Cr', 'Li', 'N']
|
mp-1247145
|
LiOsN2
| 3 | false | 2.011532 | -0.093279 | -0.868213 | false | 2.457499 | -0.947244 |
['Li', 'N', 'Os']
|
mp-1245526
|
LiRuN2
| 3 | false | 1.987957 | 0.042166 | -0.868213 | false | 0.555503 | -0.953366 |
['Li', 'N', 'Ru']
|
mp-1245529
|
LiSbN2
| 3 | false | 2.028685 | 0.426138 | -0.868213 | false | 0.665878 | -0.921455 |
['Li', 'N', 'Sb']
|
mp-1246145
|
LiReN2
| 3 | false | 1.776748 | -3.291837 | -0.868213 | false | 2.289282 | -0.942425 |
['Li', 'N', 'Re']
|
mp-1245555
|
LiIrN2
| 3 | false | 2.194492 | 0.128259 | -0.868213 | false | 2.548558 | -0.94996 |
['Ir', 'Li', 'N']
|
mp-1246000
|
LiMnN2
| 3 | true | 1.601959 | -0.05148 | -0.868213 | false | -0.223648 | -0.985788 |
['Li', 'Mn', 'N']
|
mp-14232
|
LiBO2
| 3 | false | -0.860547 | -0.028985 | 4.061794 | false | -0.569371 | -1.073587 |
['B', 'Li', 'O']
|
mp-20782
|
LiInTe2
| 3 | false | 1.250755 | 1.073994 | 0.069363 | true | 0.635231 | -0.468951 |
['In', 'Li', 'Te']
|
mp-20187
|
LiInSe2
| 3 | false | 1.008861 | -2.082318 | 0.196928 | true | 0.441284 | -0.629939 |
['In', 'Li', 'Se']
|
mp-3524
|
LiPN2
| 3 | false | 1.043094 | -0.336601 | 1.705837 | true | -0.526014 | -1.024844 |
['Li', 'N', 'P']
|
mp-4586
|
LiAlTe2
| 3 | false | 1.153852 | 0.976887 | 0.784647 | true | 0.15541 | -0.541945 |
['Al', 'Li', 'Te']
|
mp-5048
|
LiGaTe2
| 3 | false | 1.247878 | 1.053728 | 0.207355 | true | 0.564589 | -0.545406 |
['Ga', 'Li', 'Te']
|
mp-758604
|
LiAgF2
| 3 | false | -0.141122 | -0.674181 | 0.131656 | true | 0.478579 | -0.909994 |
['Ag', 'F', 'Li']
|
mp-777785
|
LiFeF4
| 3 | true | -0.865793 | 0.438316 | 1.19903 | true | -0.542704 | -0.332508 |
['F', 'Fe', 'Li']
|
mp-1018133
|
LiHPd
| 3 | false | 1.722594 | -0.792585 | -0.868213 | false | 1.699085 | -1.150961 |
['H', 'Li', 'Pd']
|
mp-1077902
|
Li(Mg2Si)2
| 3 | false | 2.10724 | 1.295285 | -0.868213 | false | -1.19914 | -0.845502 |
['Li', 'Mg', 'Si']
|
mp-1094124
|
LiPH2
| 3 | false | 2.228042 | 0.798999 | -0.868213 | false | -1.359813 | -1.12669 |
['H', 'Li', 'P']
|
mp-1120734
|
Cs3LiCl4
| 3 | false | 0.049199 | -2.159324 | 2.073433 | true | -0.21865 | -0.471352 |
['Cl', 'Cs', 'Li']
|
mp-1180477
|
LiHPd
| 3 | false | 1.997844 | -0.719994 | -0.868213 | false | 0.903623 | -1.130639 |
['H', 'Li', 'Pd']
|
mp-1147646
|
LiCuN
| 3 | false | 2.194749 | -0.045212 | -0.868213 | false | 0.376157 | -1.144202 |
['Cu', 'Li', 'N']
|
mp-1147649
|
LiNiH2
| 3 | true | 1.900672 | 0.496529 | -0.868213 | false | 0.087445 | -1.154567 |
['H', 'Li', 'Ni']
|
mp-1207008
|
LiMnSb2
| 3 | true | 2.291933 | -2.824318 | -0.868213 | false | 0.705791 | -0.933399 |
['Li', 'Mn', 'Sb']
|
mp-1209490
|
Rb2LiS2
| 3 | false | 2.029116 | 1.369023 | -0.868213 | false | -1.882004 | -0.000125 |
['Li', 'Rb', 'S']
|
mp-1210528
|
Na2LiS2
| 3 | false | 2.195359 | 1.370947 | -0.868213 | false | -2.246726 | 0.192977 |
['Li', 'Na', 'S']
|
mp-1210904
|
LiMnAs2
| 3 | true | 2.418431 | 0.696 | -0.868213 | false | 0.558266 | -1.016716 |
['As', 'Li', 'Mn']
|
mp-1209608
|
Rb2LiSe2
| 3 | false | 1.92395 | 1.415849 | -0.868213 | false | -0.717235 | -0.636959 |
['Li', 'Rb', 'Se']
|
mp-1211089
|
LiMnP2
| 3 | true | 2.452135 | 0.596758 | -0.868213 | false | -0.334944 | -1.055438 |
['Li', 'Mn', 'P']
|
mp-1212056
|
K2LiSe2
| 3 | false | 1.906019 | 1.393614 | -0.868213 | false | -1.08767 | -0.689589 |
['K', 'Li', 'Se']
|
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