material_id
stringlengths
6
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formula_pretty
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3
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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-1185224
LiCe2Os
3
false
2.105514
0.279877
-0.868213
false
3.603117
-0.987579
['Ce', 'Li', 'Os']
mp-1185229
LiCe2Ga
3
false
1.93303
-3.428765
-0.868213
false
1.593763
-0.959089
['Ce', 'Ga', 'Li']
mp-1185244
LiY2Ga
3
false
1.812859
0.714442
-0.868213
false
0.504187
-0.967225
['Ga', 'Li', 'Y']
mp-1185246
LiYb2Cd
3
false
1.997041
-4.865502
-0.868213
false
2.836926
-0.958851
['Cd', 'Li', 'Yb']
mp-1185293
LiAc2Tl
3
false
1.89176
-11.95042
-0.868213
false
2.863058
-0.840841
['Ac', 'Li', 'Tl']
mp-1185309
LiAg2Sb
3
false
1.89402
-3.097697
-0.868213
false
2.361827
-1.011298
['Ag', 'Li', 'Sb']
mp-1185316
LiGa2Co
3
true
1.894329
-0.754798
-0.868213
false
2.155838
-1.096951
['Co', 'Ga', 'Li']
mp-1185324
LiDy2In
3
false
1.779703
-4.442514
-0.868213
false
2.325139
-0.941674
['Dy', 'In', 'Li']
mp-1185327
LiDy2Tl
3
false
1.861869
-6.640525
-0.868213
false
3.19562
-0.936546
['Dy', 'Li', 'Tl']
mp-1185335
LiEu2Tl
3
false
1.848814
-7.592618
-0.868213
false
2.078738
-0.877857
['Eu', 'Li', 'Tl']
mp-1185362
LiGd2In
3
false
1.788409
-6.096265
-0.868213
false
2.083493
-0.933409
['Gd', 'In', 'Li']
mp-1185372
LiLu2Pt
3
false
1.273177
-7.557749
-0.868213
false
5.173105
-1.007653
['Li', 'Lu', 'Pt']
mp-1185375
LiLaAu2
3
false
1.431406
0.944793
-0.868213
false
4.1023
-0.976231
['Au', 'La', 'Li']
mp-1185373
LiLu2Co
3
true
2.021339
0.759958
-0.868213
false
3.731804
-1.024408
['Co', 'Li', 'Lu']
mp-1185392
LiGd2Al
3
false
1.939623
-4.90693
-0.868213
false
1.357721
-0.949085
['Al', 'Gd', 'Li']
mp-1185322
LiCuAu2
3
false
1.838264
1.112791
-0.868213
false
6.368559
-1.070324
['Au', 'Cu', 'Li']
mp-1185323
LiHfAu2
3
false
1.54354
-8.84099
-0.868213
false
6.810525
-1.038716
['Au', 'Hf', 'Li']
mp-1185341
LiEu2Cd
3
false
1.974803
-5.160282
-0.868213
false
1.191656
-0.871222
['Cd', 'Eu', 'Li']
mp-1185354
LiGd2Os
3
false
1.985136
-8.249985
-0.868213
false
4.178685
-0.992706
['Gd', 'Li', 'Os']
mp-1185369
LiLuIn2
3
false
1.681138
-4.228764
-0.868213
false
2.529075
-0.976098
['In', 'Li', 'Lu']
mp-1185381
LiIn2Ni
3
true
1.870931
-2.28563
-0.868213
false
2.599245
-1.052718
['In', 'Li', 'Ni']
mp-1185407
LiPrAu2
3
false
1.458302
0.96208
-0.868213
false
4.332807
-0.984116
['Au', 'Li', 'Pr']
mp-1185409
LiPmGa2
3
false
1.628594
-2.007695
-0.868213
false
1.427301
-1.000677
['Ga', 'Li', 'Pm']
mp-1185328
LiHo2In
3
false
1.900105
1.034254
-0.868213
false
2.446784
-0.945805
['Ho', 'In', 'Li']
mp-1185329
LiAcRh2
3
false
1.783758
-6.644226
-0.668131
false
4.058404
-1.023341
['Ac', 'Li', 'Rh']
mp-1185339
LiEu2Ir
3
false
1.855072
-7.53149
-0.868213
false
3.547662
-0.971681
['Eu', 'Ir', 'Li']
mp-1185361
LiNbRu2
3
false
2.061054
-3.573378
-0.868213
false
3.387081
-1.07384
['Li', 'Nb', 'Ru']
mp-1185364
LiMgAg2
3
false
1.921681
1.376384
-0.868213
false
1.580189
-1.044391
['Ag', 'Li', 'Mg']
mp-1185365
LiMg2Au
3
false
1.664981
1.365374
-0.868213
false
1.536348
-1.037901
['Au', 'Li', 'Mg']
mp-1185367
LiInHg2
3
false
1.939157
-6.922715
-0.868213
false
4.156101
-0.98645
['Hg', 'In', 'Li']
mp-1185393
LiLuRh2
3
false
1.488407
-4.505565
-0.868213
false
4.465412
-1.05981
['Li', 'Lu', 'Rh']
mp-1185403
LiPr2Ga
3
false
1.814461
-3.251612
-0.868213
false
1.264594
-0.933402
['Ga', 'Li', 'Pr']
mp-1185421
LiZnNi2
3
true
2.015695
1.001959
-0.868213
false
2.232296
-1.109772
['Li', 'Ni', 'Zn']
mp-1185422
LiZn2Ag
3
false
1.991024
-0.951064
-0.868213
false
2.118053
-1.067853
['Ag', 'Li', 'Zn']
mp-1185330
LiEr2Au
3
false
1.626638
-6.796347
-0.868213
false
4.011725
-0.973259
['Au', 'Er', 'Li']
mp-1185347
LiDy2Ga
3
false
1.753538
-3.641657
-0.868213
false
2.271798
-0.968626
['Dy', 'Ga', 'Li']
mp-1185359
LiMg2Cd
3
false
2.02181
1.627321
-0.868213
false
-0.138957
-1.010808
['Cd', 'Li', 'Mg']
mp-1185363
LiMgHg2
3
false
1.84133
1.722704
-0.868213
false
3.710363
-1.015099
['Hg', 'Li', 'Mg']
mp-1185366
LiMg2In
3
false
2.030843
1.499198
-0.868213
false
-0.209652
-1.00046
['In', 'Li', 'Mg']
mp-1185376
LiLaTl2
3
false
1.779917
1.167621
-0.868213
false
3.217699
-0.927464
['La', 'Li', 'Tl']
mp-1185379
LiIn2Ag
3
false
1.947054
-2.945527
-0.868213
false
2.183111
-1.002652
['Ag', 'In', 'Li']
mp-1185398
LiPm2Pb
3
false
1.817678
0.921177
-0.868213
false
2.507692
-0.915769
['Li', 'Pb', 'Pm']
mp-1185400
LiPr2Rh
3
false
1.835428
0.65446
-0.868213
false
1.989074
-0.958819
['Li', 'Pr', 'Rh']
mp-1185408
LiPrZn2
3
false
1.885783
1.367017
-0.868213
false
1.246325
-1.000099
['Li', 'Pr', 'Zn']
mp-1185325
LiCa2Pb
3
false
1.736227
1.297916
-0.868213
false
0.325255
-0.90505
['Ca', 'Li', 'Pb']
mp-1185326
LiDy2Pt
3
false
1.350181
-6.65277
-0.868213
false
4.229139
-0.987233
['Dy', 'Li', 'Pt']
mp-1185331
LiDy2Rh
3
false
1.646805
0.630407
-0.868213
false
3.258864
-0.996293
['Dy', 'Li', 'Rh']
mp-1185334
LiCeHg2
3
false
1.715435
-7.581019
-0.868213
false
3.809349
-0.959793
['Ce', 'Hg', 'Li']
mp-1185358
LiMgCd2
3
false
1.996271
1.669219
-0.868213
false
1.118532
-1.011698
['Cd', 'Li', 'Mg']
mp-1185385
LiLuTl2
3
false
1.864467
1.219972
-0.868213
false
4.534125
-0.969107
['Li', 'Lu', 'Tl']
mp-1185389
LiNd2Rh
3
false
1.795634
0.64793
-0.868213
false
2.149098
-0.963822
['Li', 'Nd', 'Rh']
mp-1185390
LiNdZn2
3
false
1.879013
1.367214
-0.868213
false
1.35858
-1.004242
['Li', 'Nd', 'Zn']
mp-1185399
LiPm2Sn
3
false
1.678343
0.862893
-0.868213
false
1.756318
-0.925534
['Li', 'Pm', 'Sn']
mp-1185405
LiLu2Re
3
false
2.174292
0.414784
-0.868213
false
5.16582
-1.011144
['Li', 'Lu', 'Re']
mp-1185413
LiPm2Co
3
true
2.271291
-3.280905
-0.868213
false
2.034059
-0.986856
['Co', 'Li', 'Pm']
mp-1185418
LiZnPt2
3
false
1.526273
0.830669
-0.868213
false
7.074409
-1.083322
['Li', 'Pt', 'Zn']
mp-1185419
LiSiPt2
3
false
1.393593
0.493519
-0.868213
false
6.588992
-1.088222
['Li', 'Pt', 'Si']
mp-1185360
LiMnIr2
3
true
1.958538
-0.03
-0.868213
false
7.190307
-1.090532
['Ir', 'Li', 'Mn']
mp-1185371
LiLu2Au
3
false
1.596897
-7.406892
-0.868213
false
4.495997
-0.984511
['Au', 'Li', 'Lu']
mp-1185374
LiMgPb2
3
false
1.985903
1.267149
-0.868213
false
2.578924
-0.957164
['Li', 'Mg', 'Pb']
mp-1185377
LiMg2Ni
3
true
2.056417
1.286811
-0.868213
false
-0.469747
-1.058434
['Li', 'Mg', 'Ni']
mp-1185378
LiGd2Tl
3
false
1.871561
-8.294016
-0.868213
false
2.949834
-0.929137
['Gd', 'Li', 'Tl']
mp-1185391
LiPr2Al
3
false
1.944191
-2.8757
-0.868213
false
0.711742
-0.923664
['Al', 'Li', 'Pr']
mp-1185397
LiNdAu2
3
false
1.441639
0.959667
-0.868213
false
4.498627
-0.988601
['Au', 'Li', 'Nd']
mp-1185346
LiCeZn2
3
false
1.970539
1.306571
-0.868213
false
1.328898
-1.005882
['Ce', 'Li', 'Zn']
mp-1185349
LiEu2Hg
3
false
1.842751
-7.317742
-0.868213
false
2.198513
-0.889609
['Eu', 'Hg', 'Li']
mp-1185368
LiMgIn2
3
false
1.994407
1.407716
-0.868213
false
0.889937
-0.991925
['In', 'Li', 'Mg']
mp-1185386
LiGdTl2
3
false
1.796238
-9.023459
-0.868213
false
3.877067
-0.950326
['Gd', 'Li', 'Tl']
mp-1185394
LiGd2Ga
3
false
1.811271
-0.383754
-0.868213
false
2.011476
-0.960557
['Ga', 'Gd', 'Li']
mp-1185396
LiPr2Ir
3
false
1.705269
-6.24837
-0.868213
false
3.065853
-0.961377
['Ir', 'Li', 'Pr']
mp-1185415
LiNdIn2
3
false
1.604549
-3.620657
-0.868213
false
1.643355
-0.94394
['In', 'Li', 'Nd']
mp-1185424
LiSc2Ga
3
false
1.765514
-0.652399
-0.868213
false
-0.097776
-1.016535
['Ga', 'Li', 'Sc']
mp-1185425
LiSiAg2
3
false
2.069488
1.140099
-0.868213
false
2.086969
-1.063116
['Ag', 'Li', 'Si']
mp-1185445
LiTbIn2
3
false
1.626887
-3.745944
-0.868213
false
2.148415
-0.96573
['In', 'Li', 'Tb']
mp-1185481
LiSmIn2
3
false
1.606911
-3.642878
-0.868213
false
1.798198
-0.94996
['In', 'Li', 'Sm']
mp-1185423
LiZrPd2
3
false
1.532308
-3.211416
-0.868213
false
2.773804
-1.04929
['Li', 'Pd', 'Zr']
mp-1185435
LiYbAu2
3
false
1.299284
-8.279992
-0.868213
false
5.895043
-1.019072
['Au', 'Li', 'Yb']
mp-1185441
LiSm2Ga
3
false
1.784227
-3.30731
-0.868213
false
1.714575
-0.95151
['Ga', 'Li', 'Sm']
mp-1185432
LiZnCd2
3
false
1.996609
-1.670861
-0.868213
false
2.238436
-1.037341
['Cd', 'Li', 'Zn']
mp-1185434
LiSnPt2
3
false
1.52426
0.630674
-0.868213
false
6.622868
-1.056942
['Li', 'Pt', 'Sn']
mp-1185437
LiThHg2
3
false
1.797754
-10.651894
-0.868213
false
4.873445
-0.95997
['Hg', 'Li', 'Th']
mp-1185450
LiTh2Tc
3
false
2.1802
-10.60212
-0.868213
false
4.187871
-0.965572
['Li', 'Tc', 'Th']
mp-1185462
LiThRh2
3
false
1.474835
-7.076616
-0.868213
false
4.368732
-1.030683
['Li', 'Rh', 'Th']
mp-1185484
LiPmIn2
3
false
1.610496
-3.627982
-0.868213
false
1.793567
-0.953646
['In', 'Li', 'Pm']
mp-1185433
LiSc2Pd
3
false
1.682094
-1.509856
-0.868213
false
0.518795
-1.022781
['Li', 'Pd', 'Sc']
mp-1185447
LiYbPd2
3
false
1.340356
-4.261568
-0.868213
false
3.843992
-1.03979
['Li', 'Pd', 'Yb']
mp-1185454
LiScIn2
3
false
1.69052
-2.290904
-0.868213
false
1.18756
-0.993827
['In', 'Li', 'Sc']
mp-1185443
LiYbPb2
3
false
1.772798
-8.982058
-0.868213
false
3.973089
-0.943987
['Li', 'Pb', 'Yb']
mp-1185458
LiSm2Al
3
false
1.918751
-2.930134
-0.868213
false
1.105374
-0.941134
['Al', 'Li', 'Sm']
mp-1185472
LiGdIn2
3
false
3.014773
-4.262734
-0.868213
false
1.946593
-0.954597
['Gd', 'In', 'Li']
mp-1185428
LiTi2Ir
3
false
1.625461
0.042426
-0.868213
false
3.02539
-1.067215
['Ir', 'Li', 'Ti']
mp-1185430
LiZnCu2
3
false
2.054181
1.255968
-0.868213
false
2.032917
-1.097282
['Cu', 'Li', 'Zn']
mp-1185439
LiYbTl2
3
false
1.771479
-8.531832
-0.868213
false
4.472478
-0.967617
['Li', 'Tl', 'Yb']
mp-1185444
LiScRh2
3
false
1.518315
0.273004
-0.868213
false
2.418452
-1.070369
['Li', 'Rh', 'Sc']
mp-1185466
LiThPt2
3
false
1.069978
-11.151372
-0.868213
false
6.153763
-1.005161
['Li', 'Pt', 'Th']
mp-1185609
LiGd2Rh
3
false
4.470919
-5.501797
-0.868213
false
2.809155
-0.982176
['Gd', 'Li', 'Rh']
mp-1187085
Sr2LiGa
3
false
1.934836
-1.15136
-0.868213
false
-0.31169
-0.870388
['Ga', 'Li', 'Sr']
mp-1187087
Sr2LiCd
3
false
2.001419
1.612955
-0.868213
false
-0.126889
-0.841431
['Cd', 'Li', 'Sr']
mp-1187090
Sr2LiRh
3
false
2.127206
-2.021371
-0.783914
false
0.437044
-0.927718
['Li', 'Rh', 'Sr']
mp-11947
LiAlAg2
3
false
1.910051
-1.717139
-0.868213
false
1.967744
-1.059246
['Ag', 'Al', 'Li']