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-674422
|
Li11Mn11O26
| 3 | true | 0.120045 | 0.056645 | -0.868213 | false | 0.133315 | 0.093257 |
['Li', 'Mn', 'O']
|
mp-675818
|
Li11TiAs5
| 3 | false | 1.249098 | -0.055829 | -0.664339 | false | -0.554758 | -0.419326 |
['As', 'Li', 'Ti']
|
mp-676324
|
Li11TiP5
| 3 | false | 1.263878 | 0.434958 | -0.620734 | false | -1.304231 | -0.495063 |
['Li', 'P', 'Ti']
|
mp-677323
|
Li11TiSb5
| 3 | false | 1.42081 | -0.949152 | -0.796711 | false | -0.176664 | -0.229949 |
['Li', 'Sb', 'Ti']
|
mp-774528
|
Li11Ti24O48
| 3 | false | -1.412303 | -0.39978 | -0.868213 | false | -0.076606 | 1.390459 |
['Li', 'O', 'Ti']
|
mp-760823
|
Li11V4F24
| 3 | false | -1.314469 | 0.423824 | -0.868213 | false | -0.664214 | 1.321768 |
['F', 'Li', 'V']
|
mp-1178085
|
Li11Fe5(OF11)2
| 4 | true | -0.956532 | 0.449784 | 0.701771 | true | -0.442917 | 0.01257 |
['F', 'Fe', 'Li', 'O']
|
mp-1178094
|
Li11V6O5F19
| 4 | false | -1.115058 | 0.277963 | -0.413339 | false | -0.473069 | 0.058551 |
['F', 'Li', 'O', 'V']
|
mp-765203
|
Li11Cr3Fe3O16
| 4 | true | -0.068778 | 0.161892 | -0.868213 | false | -0.130321 | -0.353641 |
['Cr', 'Fe', 'Li', 'O']
|
mp-766484
|
Li11Mn12(BO3)12
| 4 | true | -0.567952 | -0.201618 | -0.868213 | false | -0.415343 | 0.970238 |
['B', 'Li', 'Mn', 'O']
|
mp-766525
|
Li11Mn12(BO3)12
| 4 | true | -0.568798 | -0.201841 | -0.838691 | false | -0.393546 | 0.947484 |
['B', 'Li', 'Mn', 'O']
|
mp-766526
|
Li11Mn12(BO3)12
| 4 | true | -0.569013 | -0.201898 | -0.868213 | false | -0.393488 | 0.947424 |
['B', 'Li', 'Mn', 'O']
|
mp-766660
|
Li11Fe12(BO3)12
| 4 | true | -0.369899 | -0.115451 | 0.197876 | true | -0.30773 | 0.878142 |
['B', 'Fe', 'Li', 'O']
|
mp-766960
|
Li11Fe12(BO3)12
| 4 | true | -0.378906 | -0.117827 | -0.178455 | false | -0.305701 | 0.876194 |
['B', 'Fe', 'Li', 'O']
|
mp-769463
|
Li11Ti8Fe5O32
| 4 | true | -0.659916 | -0.111135 | -0.765023 | false | -0.172102 | 0.478434 |
['Fe', 'Li', 'O', 'Ti']
|
mp-769524
|
Li11Nb4(Ni3O8)3
| 4 | true | -0.141618 | 0.097964 | -0.029223 | false | 0.808396 | 0.077184 |
['Li', 'Nb', 'Ni', 'O']
|
mp-771347
|
Li11Ti4Fe9O32
| 4 | true | -0.130839 | 0.016491 | -0.868213 | false | -0.108479 | 0.475585 |
['Fe', 'Li', 'O', 'Ti']
|
mp-776317
|
Li11V12(OF)24
| 4 | false | -0.727002 | 0.142753 | -0.868213 | false | -0.512517 | 1.216349 |
['F', 'Li', 'O', 'V']
|
mp-777270
|
Li11V6O5F19
| 4 | false | -1.121001 | 0.276395 | -0.306223 | false | -0.484106 | 0.065618 |
['F', 'Li', 'O', 'V']
|
mp-777521
|
Li11V6O5F19
| 4 | false | -1.111552 | 0.278887 | -0.461684 | false | -0.49681 | 0.073849 |
['F', 'Li', 'O', 'V']
|
mp-778354
|
Li11V6O5F19
| 4 | false | -1.106772 | 0.280148 | -0.566431 | false | -0.503453 | 0.078194 |
['F', 'Li', 'O', 'V']
|
mp-779345
|
Li11V6O5F19
| 4 | false | -1.116391 | 0.277611 | -0.398443 | false | -0.483746 | 0.065386 |
['F', 'Li', 'O', 'V']
|
mp-780480
|
Li11V6O5F19
| 4 | false | -1.114424 | 0.27813 | -0.868213 | false | -0.471531 | 0.057572 |
['F', 'Li', 'O', 'V']
|
mp-802705
|
Li11Fe12(BO3)12
| 4 | true | -0.040708 | -0.028634 | -0.792513 | false | -0.30773 | 0.878142 |
['B', 'Fe', 'Li', 'O']
|
mp-849384
|
Li11V8(PO4)12
| 4 | false | -0.814563 | -0.131057 | -0.275279 | false | -0.589577 | 1.475233 |
['Li', 'O', 'P', 'V']
|
mp-849591
|
Li11V6O5F19
| 4 | false | -1.125762 | 0.27514 | -0.172564 | false | -0.48912 | 0.068854 |
['F', 'Li', 'O', 'V']
|
mp-856878
|
Li11V8(PO4)12
| 4 | false | 1.206203 | 0.401876 | -0.868213 | false | -0.589577 | 1.475233 |
['Li', 'O', 'P', 'V']
|
mp-884044
|
Li11Mn12(BO3)12
| 4 | true | -0.247836 | -0.117194 | -0.81242 | false | -0.393488 | 0.947424 |
['B', 'Li', 'Mn', 'O']
|
mp-774644
|
Li11V12(CuO4)12
| 4 | false | 0.041302 | 0.092975 | -0.868213 | false | 0.242345 | 1.348137 |
['Cu', 'Li', 'O', 'V']
|
mp-554531
|
Li11La12Fe3O28
| 4 | true | -1.159024 | -0.078935 | -0.801722 | false | 1.417906 | 2.61566 |
['Fe', 'La', 'Li', 'O']
|
mp-760001
|
Li11Ti12(NiO8)4
| 4 | true | -0.969455 | -0.178472 | -0.833546 | false | 0.084323 | 0.490566 |
['Li', 'Ni', 'O', 'Ti']
|
mp-775324
|
Li11Co12(PO4)12
| 4 | true | -0.388482 | 0.006233 | -0.868213 | false | -0.057697 | 1.278676 |
['Co', 'Li', 'O', 'P']
|
mp-772943
|
Li11U4(WO5)8
| 4 | false | -0.704852 | -0.340801 | -0.868213 | false | 1.961968 | 1.014251 |
['Li', 'O', 'U', 'W']
|
mp-760216
|
Li11Ti4Mn12O32
| 4 | true | -0.448748 | -0.1575 | -0.868213 | false | 0.089026 | 0.538737 |
['Li', 'Mn', 'O', 'Ti']
|
mp-761141
|
Li11V12(CoO8)4
| 4 | true | -0.306113 | -0.100282 | -0.168772 | false | 0.218043 | 0.450331 |
['Co', 'Li', 'O', 'V']
|
mp-759872
|
Li11Cr3Fe3O16
| 4 | true | -0.071048 | 0.161294 | -0.868213 | false | -0.130318 | -0.353642 |
['Cr', 'Fe', 'Li', 'O']
|
mp-769470
|
Li11Fe(WO4)7
| 4 | true | -0.305376 | -0.138939 | 1.03822 | true | 1.072041 | 0.434401 |
['Fe', 'Li', 'O', 'W']
|
mp-694909
|
Li11Fe3B24(PbO24)2
| 5 | true | -0.748239 | -0.147697 | -0.073911 | false | -0.271763 | 1.178959 |
['B', 'Fe', 'Li', 'O', 'Pb']
|
mp-695286
|
Li11Sc7Ti(PO4)12
| 5 | false | -0.557916 | 0.01173 | 0.837732 | true | -0.677398 | 1.526558 |
['Li', 'O', 'P', 'Sc', 'Ti']
|
mp-774552
|
Li11Y14Ti14(S2O5)7
| 5 | false | -1.092912 | -0.245643 | -0.868213 | false | 0.230859 | 2.274446 |
['Li', 'O', 'S', 'Ti', 'Y']
|
mp-1212365
|
Li12Ge7
| 2 | false | 1.81976 | 1.174679 | -0.868213 | false | -0.486731 | 6.271601 |
['Ge', 'Li']
|
mp-1020011
|
Li14P2(N2O)3
| 4 | false | 0.725614 | 0.541334 | 1.570553 | true | -1.085698 | -0.581937 |
['Li', 'N', 'O', 'P']
|
mp-542789
|
Li14Cr2N8O
| 4 | false | 1.298237 | 0.515293 | 0.767652 | true | -0.991335 | -0.54229 |
['Cr', 'Li', 'N', 'O']
|
mp-1210986
|
Li14Be6(BO3)9
| 4 | false | -0.847992 | 0.056751 | -0.862525 | false | -1.022278 | 1.698547 |
['B', 'Be', 'Li', 'O']
|
mp-504263
|
Li14Co9(P2O7)8
| 4 | true | -0.524902 | 0.01171 | 0.583279 | true | -0.449061 | 1.906181 |
['Co', 'Li', 'O', 'P']
|
mp-540237
|
Li14Ni9(P2O7)8
| 4 | true | -0.531267 | 0.04723 | 1.795282 | true | -0.424417 | 1.865689 |
['Li', 'Ni', 'O', 'P']
|
mp-705402
|
Li14Mn9(P2O7)8
| 4 | true | -0.716352 | -0.094542 | 1.690332 | true | -0.59763 | 2.090227 |
['Li', 'Mn', 'O', 'P']
|
mp-759443
|
Li14Cr9(P2O7)8
| 4 | false | -0.677385 | -0.097763 | 0.968344 | true | -0.613392 | 2.073094 |
['Cr', 'Li', 'O', 'P']
|
mp-762439
|
Li14Cu9(P2O7)8
| 4 | false | -0.395299 | 0.129293 | -0.601369 | false | -0.386029 | 1.87556 |
['Cu', 'Li', 'O', 'P']
|
mp-765044
|
Li14V9(P2O7)8
| 4 | false | -0.726446 | -0.095057 | 0.844909 | true | -0.602158 | 2.037618 |
['Li', 'O', 'P', 'V']
|
mp-769537
|
Li14MgCo13O28
| 4 | true | 0.205349 | 0.2477 | -0.868213 | false | 0.702583 | 0.095938 |
['Co', 'Li', 'Mg', 'O']
|
mp-863364
|
Li14Sn9(P2O7)8
| 4 | false | -0.555958 | 0.089387 | 1.14879 | true | -0.368091 | 2.593384 |
['Li', 'O', 'P', 'Sn']
|
mp-17208
|
K2Li14Zr3O14
| 4 | false | -0.655735 | 0.276427 | 2.081219 | true | -0.478251 | -0.174984 |
['K', 'Li', 'O', 'Zr']
|
mp-17971
|
Rb2Li14Pr3O14
| 4 | false | -0.30906 | 0.46948 | -0.868213 | false | -0.148801 | 0.005256 |
['Li', 'O', 'Pr', 'Rb']
|
mp-504810
|
Rb2Li14Pb3O14
| 4 | false | 0.072421 | 0.598649 | 0.441427 | true | 0.658922 | -0.110373 |
['Li', 'O', 'Pb', 'Rb']
|
mp-504806
|
K2Li14Pb3O14
| 4 | false | 0.073054 | 0.596164 | 0.498303 | true | 0.416923 | -0.118778 |
['K', 'Li', 'O', 'Pb']
|
mp-556675
|
Rb2Li14Tb3O14
| 4 | false | -0.396067 | 0.450691 | -0.868213 | false | 0.150634 | -0.069531 |
['Li', 'O', 'Rb', 'Tb']
|
mp-8711
|
Cs2Li14Tb3O14
| 4 | false | -0.392893 | 0.452804 | -0.868213 | false | 0.369706 | -0.052734 |
['Cs', 'Li', 'O', 'Tb']
|
mp-735790
|
Li14Mn22Cr3Cu3O56
| 5 | true | -0.023359 | -0.085813 | -0.868213 | false | 0.256076 | 1.718418 |
['Cr', 'Cu', 'Li', 'Mn', 'O']
|
mp-1224471
|
Li14Ce5Si11N19O7F2
| 6 | false | 0.159074 | 0.015016 | -0.868213 | false | 0.013255 | 2.635434 |
['Ce', 'F', 'Li', 'N', 'O', 'Si']
|
mp-1223420
|
Li14Nd5Si11N19O7F2
| 6 | false | 0.134292 | 0.037715 | 0.994073 | true | 0.053846 | 2.62573 |
['F', 'Li', 'N', 'Nd', 'O', 'Si']
|
mp-1197547
|
Li15Pd4
| 2 | false | 1.907882 | 0.0927 | -0.868213 | false | -0.511097 | 0.463159 |
['Li', 'Pd']
|
mp-1777
|
Li15Ge4
| 2 | false | 1.811209 | 1.296765 | -0.868213 | false | -1.035507 | 0.480284 |
['Ge', 'Li']
|
mp-567395
|
Li15Au4
| 2 | false | 1.782593 | -1.62775 | -0.868213 | false | 0.722205 | 0.53298 |
['Au', 'Li']
|
mp-569849
|
Li15Si4
| 2 | false | 1.930064 | 1.279103 | -0.868213 | false | -1.692181 | 0.461896 |
['Li', 'Si']
|
mp-698703
|
Li15Mn21O43
| 3 | true | -0.023578 | -0.060699 | -0.868213 | false | -0.100096 | 1.353045 |
['Li', 'Mn', 'O']
|
mp-758099
|
Li15(FeO6)2
| 3 | true | 0.068696 | 0.506843 | -0.855145 | false | -0.742463 | -0.497626 |
['Fe', 'Li', 'O']
|
mp-758530
|
Li15Cr2O12
| 3 | false | -0.099211 | 0.438889 | -0.868213 | false | -0.736146 | -0.514193 |
['Cr', 'Li', 'O']
|
mp-758672
|
Li15Mn2O12
| 3 | true | -0.057181 | 0.459799 | -0.868213 | false | -0.719896 | -0.510218 |
['Li', 'Mn', 'O']
|
mp-530846
|
Li15Nb16O48
| 3 | false | -0.988614 | -0.293017 | -0.868213 | false | 0.422302 | 1.343036 |
['Li', 'Nb', 'O']
|
mp-1245780
|
Li15W7N19
| 3 | false | 1.317861 | -2.139107 | 0.203631 | true | 0.860469 | 1.917238 |
['Li', 'N', 'W']
|
mp-530262
|
Li15Cr2N9
| 3 | false | 1.328328 | 0.516625 | 0.03605 | true | -0.941213 | 1.496806 |
['Cr', 'Li', 'N']
|
mp-1201065
|
Li15H9N8
| 3 | false | 1.535913 | 0.8023 | 0.957713 | true | -1.5109 | 0.209612 |
['H', 'Li', 'N']
|
mp-766829
|
Li15(FeO4)4
| 3 | true | 0.192547 | 0.415006 | -0.868213 | false | -0.885428 | 1.06755 |
['Fe', 'Li', 'O']
|
mp-705910
|
Li15(NiO2)14
| 3 | true | 0.555439 | 0.422341 | -0.868213 | false | 0.544438 | 0.205177 |
['Li', 'Ni', 'O']
|
mp-1178074
|
Li15Fe15SiO32
| 4 | true | 0.058893 | 0.08308 | 0.422198 | true | -0.34226 | 0.955771 |
['Fe', 'Li', 'O', 'Si']
|
mp-1178192
|
Li15V6(P8O29)2
| 4 | false | -0.80005 | -0.067291 | -0.14135 | false | -0.761159 | 2.126581 |
['Li', 'O', 'P', 'V']
|
mp-1178182
|
Li15Ni8(PO4)12
| 4 | true | -0.404103 | 0.113014 | -0.868213 | false | -0.515265 | 1.518556 |
['Li', 'Ni', 'O', 'P']
|
mp-25257
|
Li15Bi4(PdO10)2
| 4 | false | 0.192401 | 0.50312 | -0.843905 | false | 1.038475 | 0.093758 |
['Bi', 'Li', 'O', 'Pd']
|
mp-774800
|
Li15Zr7(Cu3O14)2
| 4 | false | -0.577191 | 0.082911 | -0.832124 | false | 0.579997 | 0.394329 |
['Cu', 'Li', 'O', 'Zr']
|
mp-861689
|
Li15Cr15SiO32
| 4 | false | -0.447976 | -0.132322 | 0.241548 | true | 0.216321 | 0.438168 |
['Cr', 'Li', 'O', 'Si']
|
mp-867892
|
Li15Mn15SiO32
| 4 | true | -0.227916 | -0.040364 | -0.719522 | false | 0.226233 | 0.483849 |
['Li', 'Mn', 'O', 'Si']
|
mp-767393
|
Li15Ti11Nb5O42
| 4 | false | -1.190764 | -0.261019 | 0.67076 | true | 0.077251 | 0.953798 |
['Li', 'Nb', 'O', 'Ti']
|
mp-1101663
|
NaLi15V16O48
| 4 | false | -0.472015 | -0.082964 | 1.194426 | true | -0.618811 | 1.664167 |
['Li', 'Na', 'O', 'V']
|
mp-759732
|
Li15Mn8P8(O4F)8
| 5 | true | -0.806878 | 0.022748 | -0.719049 | false | -0.439347 | 1.017641 |
['F', 'Li', 'Mn', 'O', 'P']
|
mp-543091
|
Li16(CoO4)3
| 3 | true | 0.068489 | 0.51492 | -0.868213 | false | -0.734722 | 0.496969 |
['Co', 'Li', 'O']
|
mp-757339
|
Li16Fe4SiO16
| 4 | true | -0.10585 | 0.342285 | 0.620993 | true | -0.725676 | -0.12556 |
['Fe', 'Li', 'O', 'Si']
|
mp-760337
|
Li16Mn15(CuO12)3
| 4 | true | -0.005394 | 0.051788 | -0.622698 | false | 0.091344 | 0.861219 |
['Cu', 'Li', 'Mn', 'O']
|
mp-774850
|
Li16V3Ga13O32
| 4 | false | -0.435344 | 0.265643 | 0.315352 | true | 0.053282 | 0.868011 |
['Ga', 'Li', 'O', 'V']
|
mp-14871
|
Li16Ta2N8O
| 4 | false | 1.008844 | 0.451537 | 1.435066 | true | 0.001422 | -0.470158 |
['Li', 'N', 'O', 'Ta']
|
mp-6031
|
Li16Nb2N8O
| 4 | false | 1.061106 | 0.503267 | 1.422337 | true | -0.73748 | -0.468701 |
['Li', 'N', 'Nb', 'O']
|
mp-849382
|
Li16Mn15Fe(PO4)16
| 5 | true | -0.712944 | -0.151198 | 1.476775 | true | -0.2753 | 2.367305 |
['Fe', 'Li', 'Mn', 'O', 'P']
|
mp-573471
|
Li17Sn4
| 2 | false | 1.785751 | 1.339743 | -0.868213 | false | -0.778376 | 4.25623 |
['Li', 'Sn']
|
mp-574275
|
Li17Pb4
| 2 | false | 1.855524 | 1.374555 | -0.868213 | false | 0.138406 | 4.498153 |
['Li', 'Pb']
|
mp-1172980
|
Li17(CoO4)3
| 3 | true | 0.056937 | 0.527124 | -0.634682 | false | -0.740053 | 0.527372 |
['Co', 'Li', 'O']
|
mp-33334
|
Li17(MnAs2)4
| 3 | true | 1.596279 | 0.89459 | -0.868213 | false | -0.245947 | 0.090236 |
['As', 'Li', 'Mn']
|
mp-530514
|
Li17Nb18O54
| 3 | false | -0.992142 | -0.292519 | -0.868213 | false | 0.423111 | 1.665832 |
['Li', 'Nb', 'O']
|
mp-686160
|
Li17Nb20O60
| 3 | false | -0.947799 | -0.300604 | -0.868213 | false | 0.384653 | 2.016844 |
['Li', 'Nb', 'O']
|
mp-754575
|
Li17Cr2O12
| 3 | false | -0.112334 | 0.468965 | -0.335202 | false | -0.74694 | -0.484486 |
['Cr', 'Li', 'O']
|
mp-758913
|
Li17(Co4O9)2
| 3 | true | 0.304713 | 0.414111 | -0.232893 | false | -0.458817 | 0.134789 |
['Co', 'Li', 'O']
|
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