mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-1078669
-5.782104
-3.61043
-0.938498
other
Np2Te6
8
63
237.77
mp-1077234
-8.34228
-8.083445
5.811369
other
Mg4Ru2
6
63
123.31
mp-1186685
-7.370519
-6.905251
7.010924
other
Pr4Mg2
6
63
195.63
mp-1047381
9.387315
9.6692
-0.375
other
Sn4O8
12
63
170.71
mp-977218
-5.722601
-7.149474
3.515037
other
Li4Mg2
6
63
124.7
mp-1094115
6.672081
8.567328
-2.282412
other
Na2O2
4
63
50.68
mp-605
-5.736301
-2.780101
-1.601302
other
Zr2Te10
12
63
428.63
mp-1038781
-6.383868
-7.096571
1.173301
other
Mg4Bi2
6
63
156.59
mp-1205810
-0.247979
1.039838
-4.204533
other
Eu2Br6
8
63
251.97
mp-30423
-8.57612
-5.317332
2.505066
other
V2Au4
6
63
101.39
mp-1189963
-7.44126
-7.436664
5.236943
other
Lu6Tl10
16
63
425.69
mp-1210753
-5.881072
-6.696286
4.025303
other
Li4Al2
6
63
98.18
mp-11417
-7.919024
-5.792045
5.998082
other
Tb2Ga2
4
63
95.97
mp-630923
-6.017163
-7.066301
2.965145
other
Ba6Pb10
16
63
603.22
mp-27639
-0.421407
1.684078
-3.948166
other
I2Br2
4
63
161.45
mp-2450
-6.244676
-6.758825
3.116777
other
Ca2Sn2
4
63
121.75
mp-1730
-5.428214
-6.530122
3.611312
other
Ba2Ge2
4
63
133.83
mp-378
-5.027156
-4.209073
6.123199
other
Er2Si2
4
63
83.22
mp-20136
-5.793047
-7.110463
3.062398
other
Ba2Pb2
4
63
168.63
mp-972521
-6.905898
-4.570837
5.646741
other
Sm2Ge2
4
63
96.55
mp-1046850
10.471364
9.425094
0.065822
other
Sn8O12
20
63
354.94
mp-999193
-9.101061
-6.524972
3.634307
other
Sm2Au2
4
63
100.34
mp-1043363
8.807216
14.887173
-1.035348
other
Mn8O12
20
63
239.29
mp-1094518
-6.880363
-10.402921
4.213327
other
Mg4Sn2
6
63
143.29
mp-1096968
0.690042
3.074554
1.557836
other
Cr32N64
96
63
2,438.83
mp-999339
-7.976863
-5.607272
6.222558
other
Nd2Ni2
4
63
86.36
mp-1188954
-5.545448
-5.991473
3.68052
other
Ba6Ge10
16
63
472.16
mp-1067248
-7.347722
-2.229057
3.287775
other
Ti2Ni2
4
63
54.1
mp-1073737
-2.547749
-6.815888
7.661214
other
Mg2Si2
4
63
70.77
mp-570017
-8.572132
-5.873522
1.975535
other
Mg20Au60
80
63
1,431.42
mp-1209929
7.034194
7.302672
-2.974082
other
Ni1O3
4
65
101.72
mp-1096936
6.723999
6.025422
-3.718449
other
Cs1O2
3
65
62.71
mp-1207336
0.227718
2.401714
-3.297495
other
Pb1I6
7
65
7,062.87
mp-1220325
-6.690117
-1.888782
4.121684
other
Nb1Ru1
2
65
32.31
mp-1226288
-6.42929
-0.590698
3.69767
other
Cr3Mo1
4
65
51.23
mp-1215206
-5.819621
-2.672933
3.900391
other
Zr1Mo1
2
65
37.45
mp-31217
-8.893661
-4.572893
3.060553
other
Cu8O1
9
65
106.08
mp-1215400
-4.268655
-2.180941
-2.872651
other
Zr3Se4
7
65
159.03
mp-1206268
-7.921601
-5.954782
4.931964
other
Sc2In4
6
65
136.05
mp-19066
12.012068
11.289007
-1.913473
other
W6O16
22
65
253.58
mp-1225131
-7.729147
0.226145
3.793366
other
Fe3Cu1
4
65
47.15
mp-1215699
-4.539236
-3.825482
-3.814138
other
Yb3Se4
7
65
202.42
mp-1217811
-5.930354
-1.64187
3.840847
other
Ta1W1
2
65
33.67
mp-1216959
-6.398887
-1.460225
4.42382
other
Ti1Cr1
2
65
27.87
mp-1105069
-7.204668
-5.82129
3.768952
other
La4Sn10
14
65
397.93
mp-1216229
-5.788539
-0.712847
3.640707
other
V1Re1
2
65
28.03
mp-1077593
-7.235681
-5.941919
3.988835
other
Sm2Sn4
6
65
163.22
mp-1215891
-6.308403
-6.320539
6.434882
other
Y1Th1
2
65
64.68
mp-1216834
-6.618219
-0.851929
4.602711
other
Ti1Fe1
2
65
26.66
mp-1097884
9.032093
1.508817
0.120212
other
Be1F2
3
65
40.52
mp-2362485
-6.236505
-9.254038
4.465377
other
Li3Mg3
6
65
122.41
mp-571035
2.01924
2.839671
-4.447029
other
Os1Cl4
5
65
125.77
mp-30767
-6.468843
-6.865199
3.009116
other
Li14Sn4
18
65
315.87
mp-1220588
-5.52958
-2.619712
3.61592
other
Nb3Si1
4
65
69.05
mp-28416
-7.190688
-5.647244
3.682112
other
Ce3Sn7
10
65
275.77
mp-1220719
-5.527402
-2.592924
3.475689
other
Nb3In1
4
65
76.38
mp-1077225
-2.393257
-8.334351
1.405756
other
Hf1Pd5
6
65
249.19
mp-1072
-6.778024
-3.306815
4.612049
other
Nb5Ga13
18
65
283.53
mp-1219460
-5.811481
-6.088387
0.878502
other
Sb1Pb1
2
65
60.68
mp-1216394
-6.497393
-0.879508
3.790658
other
V1Cr1
2
65
24.4
mp-1218950
-6.05278
-1.079165
3.605891
other
Sn1Mo3
4
65
69.49
mp-1220317
-5.062189
-1.946787
2.332254
other
Nb1P1
2
65
31.55
mp-29630
-6.354164
-6.771567
3.553067
other
Li14Ge4
18
65
265.53
mp-1079582
-7.42691
-1.398298
3.718549
original
V4Ir4
8
65
109.92
mp-1218947
-6.590087
-5.868608
1.188999
other
Sn1Bi1
2
65
60.26
mp-569250
-7.454675
-1.398312
3.722622
other
V2Ir2
4
65
54.53
mp-1225902
-4.100196
-6.903424
1.567941
other
Cs1K1
2
65
185.6
mp-31144
-6.141633
-6.283326
1.394253
other
Rb3Au7
10
65
276.53
mp-1217812
-5.829062
-1.816159
3.837788
other
Ta1V1
2
65
32.19
mp-1223653
-6.736519
-6.22839
2.025352
other
In1Sn4
5
65
141
mp-1217894
-5.940048
-1.647822
4.191014
other
Ta1Re1
2
65
32.48
mp-16371
-6.877288
-4.793679
5.376665
other
Th2Ge4
6
65
140.98
mp-1207322
-2.351096
-8.223973
1.513932
other
Cu6O1
7
65
734.9
mp-1208477
3.580213
3.018631
-3.316494
other
W1N6
7
65
6,572.74
mp-656887
6.631699
12.525404
-1.391693
other
Ni6O8
14
65
138.81
mp-1220323
-6.260332
-1.821654
3.985295
other
Nb1Tc1
2
65
32.33
mp-698
11.461161
9.114914
1.660467
other
U3O8
11
65
167.52
mp-1206297
-3.48712
-1.485533
-4.262625
other
Tl4S6
10
65
6,116.78
mp-1237
-6.560797
-3.601353
4.022332
other
U2Ge4
6
65
127.02
mp-1211390
-4.499345
-4.920937
-1.025194
other
Te7As6
13
65
16,482.25
mp-1211453
-3.624643
-1.057834
-4.314729
other
Mo1S6
7
65
3,660.92
mp-1210578
-3.353754
-0.888274
-4.264306
other
Nb1S6
7
65
3,967.99
mp-1182591
-6.56791
-6.13024
3.178895
other
Ho3Sn7
10
65
1,908.92
mp-1221603
-7.829753
-0.97105
3.169946
other
Mn1Ni1
2
65
24.47
mp-1106149
-8.290448
-2.513682
3.651017
other
Ir10C6
16
65
219.6
mp-1206633
2.180149
2.846948
-4.047695
other
Co1Cl6
7
65
2,806.1
mp-1225694
-8.922489
-1.331265
2.69927
other
Cu1Ni3
4
65
44
mp-1220635
-5.659928
-2.494813
3.518584
other
Nb3Pd1
4
65
69.34
mp-1226294
-6.660278
-0.600076
3.803823
other
Cr3Os1
4
65
49.28
mp-1271166
9.346082
0.991784
-0.809329
other
Co4F12
16
65
227.8
mp-1228919
-7.238893
0.244791
4.241399
other
Al1Fe3
4
65
48.57
mp-1206305
0.33349
1.99244
-3.973068
other
Zn1Br6
7
65
4,105.6
mp-1214982
4.520628
2.482332
-3.275401
other
Ag1C6
7
65
170.2
mp-28629
-4.827309
0.089647
3.172204
other
Ta5B6
11
65
117.33
mp-262
-3.23463
1.617023
2.874992
other
Na3B20
23
65
218.15
mp-1224780
-7.950679
0.268989
3.58988
other
Fe3Ni1
4
65
45.99
mp-1206272
-3.754627
-2.192964
-3.385782
other
Ta1Se6
7
65
4,996.95
mp-1216347
-6.877766
-0.067191
3.723587
other
V1Fe1
2
65
24.36
mp-1226953
-8.030431
-6.585168
2.257563
other
Cd3Au1
4
65
86.45
mp-1206441
-5.385004
0.448427
3.126828
other
V5B6
11
65
95.25