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-1025537
-5.812599
-3.525855
-1.617144
other
Tm2Te6
8
63
256.59
mp-1094546
-6.856639
-10.077783
3.247738
other
Mg4Sb2
6
63
147.75
mp-1094444
-7.925174
-9.421442
6.973635
other
Y2Mg4
6
63
157.52
mp-1271281
2.0538
2.145775
1.332088
other
Sb12N20
32
63
435.51
mp-21279
-4.304887
-5.377972
5.32728
other
Eu2Si2
4
63
100.78
mp-1072259
-7.120615
-5.696887
3.744153
other
Lu2Sn4
6
63
150.55
mp-1039524
-7.783029
-8.758595
6.203267
other
Ce2Mg4
6
63
157.15
mp-872
-5.80256
-6.841687
2.956825
original
Ba2Sn2
4
63
160.99
mp-1025422
-6.789359
-4.378758
5.168263
other
Ho2Ge6
8
63
162.05
mp-511
-6.809628
-4.56714
5.502363
other
Pr2Ge2
4
63
103.28
mp-1104486
-6.942834
-4.523744
5.624511
other
Tm6Ge8
14
63
294.84
mp-1189532
-7.443412
-6.141841
5.146353
other
Th6In10
16
63
444.58
mp-1187900
-6.069387
-7.384911
4.595969
other
Yb4Mg2
6
63
201
mp-1025418
-5.91821
-3.640437
-1.5261
other
La2Te6
8
63
322.87
mp-1047639
6.073677
13.214809
-2.570486
other
Co4O8
12
63
126.05
mp-1097008
7.266532
8.581708
-2.012285
other
K2O2
4
63
75.24
mp-1185754
-7.645846
-9.424123
3.87086
other
Mg4Ag2
6
63
119.43
mp-1207393
-6.82632
-3.616381
4.439835
other
Zr6Ga10
16
63
283.85
mp-1212972
-8.123708
-6.379823
5.522108
other
Dy6In10
16
63
408.72
mp-1185798
-7.056954
-9.752811
4.560027
other
Mg4In2
6
63
134.65
mp-12774
-8.055628
-4.184163
4.902103
other
Th2Ir2
4
63
93.94
mp-1184465
-6.587182
-6.61268
2.325637
other
Co2Pb6
8
63
222.56
mp-1016109
-9.412315
-5.552338
3.708717
other
Zr2Zn32
34
63
508.95
mp-559871
9.143133
0.933359
1.115696
other
Al6F18
24
63
290.56
mp-23244
-1.32215
1.742449
-1.985552
other
U2I6
8
63
321.36
mp-945077
-5.883395
-3.477637
-1.609654
other
Y2Te6
8
63
248.03
mp-29772
-6.73384
-4.435074
5.171899
other
Y2Ge6
8
63
165.12
mp-1047616
12.990789
10.656758
-0.132523
other
W4O8
12
63
173.31
mp-999130
-8.146978
-5.285262
5.808315
other
Tb2Ni2
4
63
79.23
mp-1025482
-5.86692
-3.511162
-1.590927
other
Dy2Te6
8
63
262.83
mp-27975
-0.399563
0.670441
-3.535253
other
Nd2Br6
8
63
250.51
mp-1094403
-7.933034
-9.422502
6.967939
other
Y2Mg4
6
63
157.97
mp-973374
-6.940495
-11.025118
5.504012
other
Li2Mg4
6
63
127.89
mp-14019
-7.568902
0.139769
2.762605
other
Ni2B2
4
63
31.63
mp-1094936
-7.249181
-10.712058
4.689978
other
Mg4Cd2
6
63
128.72
mp-1094516
-5.728016
-5.582956
0.451006
other
Mg2Sb4
6
63
154.93
mp-540660
-5.522952
-2.512112
2.444453
other
Nb16As12
28
63
494.88
mp-29667
-7.25174
-1.585132
2.774251
other
Si16Ni24
40
63
444.78
mp-1190402
-8.880646
-5.830442
4.724582
other
Y8Cu12
20
63
467.58
mp-1042291
13.078597
10.720763
-0.247777
other
W2O4
6
63
98.74
mp-570858
1.253263
2.301891
-5.516799
other
Ag2Cl2
4
63
81.59
mp-1094373
-7.288398
-9.073013
6.604579
other
Mg4Ti2
6
63
125.64
mp-27979
-1.188331
1.588583
-1.790295
other
La2I6
8
63
331.14
mp-1205298
-4.77116
-4.258471
6.092164
other
Tb4Si6
10
63
200.8
mp-1104180
-5.797428
-3.633013
-1.569951
other
Pr4Te10
14
63
449.4
mp-1025426
-1.209703
1.731097
-2.003408
original
Ce2I6
8
63
328.55
mp-999124
-8.952121
-5.859559
4.473948
other
Tb2Pd2
4
63
89.17
mp-1078991
-5.846787
-3.441588
-1.663418
other
Er2Te6
8
63
243.25
mp-1094163
-7.683985
-8.934339
6.430668
other
La2Mg4
6
63
172.11
mp-1105801
-7.429303
-7.428329
5.234789
other
Er6Tl10
16
63
431.12
mp-1188242
-7.512618
-7.466014
5.352205
other
Ho6Tl10
16
63
431.58
mp-1047795
9.586686
2.362994
-0.179808
other
V2F10
12
63
202.6
mp-1002136
-8.797047
-6.335362
3.707156
other
La2Au2
4
63
110.61
mp-569752
-7.335462
-3.873343
3.433516
other
U2Pt2
4
63
91.3
mp-1372094
12.857219
10.178409
0.272087
other
W8O12
20
63
268.8
mp-11295
-8.053607
-7.327365
4.06712
other
Dy2Cd6
8
63
185.72
mp-600032
15.691312
5.619434
0.403327
other
Si24O48
72
63
1,583.69
mp-600111
15.628412
5.642349
0.345487
other
Si32O64
96
63
1,979.03
mp-9208
-5.36604
0.546003
3.146796
other
V4B6
10
63
82.56
mp-1064981
-7.332686
-2.644608
4.50694
other
Hf2Co2
4
63
62.18
mp-560527
15.753946
5.599911
0.416262
other
Si8O16
24
63
444.99
mp-19918
-6.804919
-4.801617
5.72897
other
Gd2Ge2
4
63
93.4
mp-999336
-8.645089
-6.043552
4.606289
other
Nd2Pd2
4
63
97.23
mp-1046803
10.682476
9.360553
-0.502503
other
Sb8O12
20
63
363.94
mp-2327
-9.448422
-5.527112
3.625069
other
Ti2Zn32
34
63
493.11
mp-559676
-3.681598
-1.67813
-5.582918
other
Sn2S2
4
63
98.68
mp-1039182
-6.417314
-7.130581
1.176036
other
Mg4Bi2
6
63
156.06
mp-1188678
10.344964
12.900503
-0.490949
other
Fe8O10
18
63
189.27
mp-1023918
-5.426511
-5.632617
0.645026
other
Al2Sb2
4
63
96.25
mp-655086
-0.836506
0.739522
-3.34987
other
Nb4Br10
14
63
509.93
mp-567181
-7.431354
-3.354006
4.470102
other
Zr4Rh4
8
63
144.77
mp-1046792
9.562078
8.626311
-0.343095
other
Bi8O12
20
63
404.89
mp-1094521
-6.36753
-6.349479
2.085669
other
Mg2Sn4
6
63
154.73
mp-1080361
-4.281024
-4.975915
-3.416492
other
Ce24Se48
72
63
5,943.62
mp-1078612
-5.903961
-3.57689
-1.520687
other
La2Te6
8
63
266.58
mp-1216302
11.909581
11.139421
-2.241293
other
W4O10
14
63
228.62
mp-974768
-3.905493
-7.076644
1.853192
other
Rb4Mg2
6
63
406.19
mp-1094209
-6.935039
-10.497255
4.223937
other
Mg4Sn2
6
63
141.53
mp-27974
-0.382515
0.795469
-3.780001
other
Pu2Br6
8
63
248.68
mp-1014565
0.691142
3.068194
1.573441
other
Cr24N48
72
63
1,632.41
mp-1102409
-7.517878
-1.181568
5.523646
other
Er4Mn8
12
63
203.39
mp-22870
-0.262398
1.248353
-4.55969
other
In2Br2
4
63
130.09
mp-2360
-5.701434
-6.081504
3.972892
other
Ca2Ge2
4
63
98.83
mp-13495
-7.766728
-4.647464
3.349087
other
Zr2Pd2
4
63
76.21
mp-1039259
-6.59886
-6.040525
5.453717
other
Ce8Mg4
12
63
325.52
mp-1078836
-1.104093
2.762007
-2.56602
other
K2I2
4
63
185.54
mp-7303
-7.965965
-7.282282
4.034431
other
Er2Cd6
8
63
182.91
mp-1008471
-6.155217
-3.451493
-2.349445
other
Cd2Te2
4
63
120.87
mp-1537871
-4.016068
-1.205954
-5.363764
other
Ag4S2
6
63
126.37
mp-260
-5.362932
0.487184
3.206392
other
Cr2B2
4
63
32.85
mp-754556
1.416163
1.840153
2.363839
other
Nb6N10
16
63
210.72
mp-1079421
-8.170937
-8.049223
3.075957
other
U2Hg6
8
63
201.08
mp-1018057
-5.548839
-2.478706
4.267198
other
Hf2Be2
4
63
61.92
mp-1024947
-6.213188
-5.520676
1.069102
other
Yb2Bi4
6
63
186.34
mp-1079460
-5.654133
-3.110903
3.60924
other
Ti6Sn2
8
63
142.66
mp-1043418
6.902692
13.266451
-1.968715
other
Co8O12
20
63
226.19
mp-28448
1.049083
1.796138
-4.905554
other
Dy2Cl6
8
63
197
mp-570112
-5.420047
-0.005676
3.109491
other
Cr6C4
10
63
88.29
mp-1047300
10.122897
9.773241
-0.743299
other
Sb4O8
12
63
196.11
mp-1002104
-8.252319
-4.830606
4.350892
other
La2Pt2
4
63
101.15