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-1055905
-6.435547
-0.718563
1.745132
other
Fe28Se12
40
11
570.64
mp-566
-3.827741
-4.037553
0.681785
other
Ce2P10
12
11
257.06
mp-1219538
8.961255
10.01923
-2.262675
other
Sb10O28
38
11
510.5
mp-30282
-1.146629
1.372451
-1.650805
other
La4I10
14
11
592.54
mp-1080821
8.196878
1.210892
-0.076248
other
Ba2F6
8
11
143.65
mp-644802
6.450546
2.379996
-2.841919
other
C136F40
176
11
1,952.61
mp-680443
-6.024977
-7.036259
2.312196
other
K16Pb36
52
11
2,087.33
mp-727311
8.467197
1.203896
-0.145856
other
Sr2F6
8
11
112.72
mp-1179595
7.028664
6.676342
-4.028083
other
Sb6O28
34
11
487.27
mp-9921
-3.905236
-0.55815
-4.398669
other
Zr2S6
8
11
172.47
mp-1191680
-4.634172
-1.062839
-3.05677
other
Ta6Se18
24
11
541.34
mp-1707
4.828003
3.002086
-3.367771
other
Ba2N12
14
11
230.19
mp-1180019
6.697754
7.962269
-2.876936
other
Pb6O12
18
11
360.81
mp-1189810
-6.362039
-5.594447
0.315665
other
Bi12Mo4
16
11
440.46
mp-1206338
7.197155
8.445382
-1.20898
other
Er2O4
6
11
87.43
mp-1864
-3.672208
-3.960244
0.61518
other
La4P20
24
11
526.03
mp-680463
-5.970749
-6.96895
2.252549
other
Rb16Pb36
52
11
2,142.78
mp-502
-2.798969
-0.772337
-4.914099
other
As8S10
18
11
490.83
mp-1206313
7.116774
8.547861
-1.257671
other
Tm2O4
6
11
85.87
mp-979261
-7.91858
-4.261286
2.975407
other
Ti2Pd2
4
11
61.9
mp-30527
-3.88912
-0.024119
-4.076665
other
Ta6S18
24
11
469.47
mp-28571
-0.211094
0.607787
-3.400613
other
La4Br10
14
11
462.71
mp-8357
-5.561888
-3.481748
-0.671588
other
U2Te6
8
11
279.37
mp-27684
9.102625
8.668767
-0.408893
other
Tl8O6
14
11
283.47
mp-1214175
-6.143008
-5.439015
0.193596
other
Bi14I4
18
11
696.06
mp-571279
-0.871047
1.572217
-2.222451
other
Zr4I8
12
11
406.04
mp-1195735
-5.625548
-3.463015
-1.650487
other
Te24As16
40
11
1,219.44
mp-775907
10.038833
8.480258
3.24461
other
Y12O18
30
11
419.47
mp-9429
-4.058524
-3.593513
-2.942261
other
U2Se6
8
11
213.97
mp-1094359
-5.064034
-3.077795
4.119891
other
Mg8Ti16
24
11
446.14
mp-1213127
0.754929
1.109442
-3.830897
other
Ho20Cl44
64
11
1,532.5
mp-1016048
0.686425
3.083323
1.547002
other
Cr32N64
96
11
2,417.68
mp-30471
-7.022394
-6.785351
3.834805
other
Ca10Cu10
20
11
472.55
mp-1229215
11.797297
7.842269
0.184959
other
Al22O36
58
11
634.34
mp-1176438
10.605875
0.043024
0.251747
other
Mn4F12
16
11
229.09
mp-1080657
-2.270384
-0.375871
-5.16533
other
Si2S8
10
11
247.86
mp-1079939
3.028319
0.085825
-1.765963
other
Fe2H8
10
11
43.62
mp-530033
-2.699988
1.830003
2.610772
other
B48O6
54
11
401.68
mp-1079673
-4.431322
-3.491344
-3.219794
other
Th2Se6
8
11
241.25
mp-2196
-5.386433
-5.813921
0.67945
other
Ba6Sb12
18
11
656.92
mp-22854
-1.15357
1.398406
-1.726705
other
Pr4I10
14
11
584
mp-16789
-3.090207
-2.265053
-5.123453
other
Yb12S18
30
11
707.28
mp-1206243
7.225871
8.431222
-1.111439
other
Ho2O4
6
11
89.83
mp-9854
-3.753369
-3.94928
0.760532
other
Y2P10
12
11
244.71
mp-849581
9.807913
12.423635
-4.309706
other
V18O44
62
11
807.93
mp-1078579
-7.320165
0.691054
3.609117
other
Fe8C2
10
11
99.25
mp-714921
11.047595
13.31962
-3.519797
other
V12O26
38
11
460.46
mp-1190583
-4.015986
0.065093
-4.02435
other
Nb6S18
24
11
473.57
mp-782035
12.537281
7.61323
0.495272
other
Al12O18
30
11
279.73
mp-29652
-4.619005
-1.08033
-3.05941
original
Ta4Se12
16
11
364.19
mp-1094290
-5.69698
-3.922111
3.478666
other
Zr16Sn8
24
11
561.69
mp-1179674
8.161267
9.389184
-3.570723
other
Re4O18
22
11
385.36
mp-1079523
7.165323
7.692038
-3.741854
other
Co2O8
10
11
196.49
mp-1178654
6.873776
8.219433
-2.767061
other
Yb2O6
8
11
100.5
mp-684679
9.917224
10.04526
-0.761675
other
Sb12O26
38
11
546.78
mp-12406
-3.067255
-2.126682
-4.424046
original
U2S6
8
11
200.25
mp-9922
-3.88811
-0.601254
-4.415148
other
Hf2S6
8
11
167.94
mp-557894
15.54934
5.674911
0.320361
other
Si32O64
96
11
1,940.84
mp-9852
-3.769578
-3.961796
0.734522
other
Tm2P10
12
11
238.04
mp-559360
15.658269
5.647285
0.394235
other
Si24O48
72
11
1,394.53
mp-1178782
-4.356929
-5.155802
5.649147
other
Yb8Si14
22
11
470.06
mp-368
13.473215
7.482574
-4.514115
other
P8O12
20
11
385.5
mp-1101295
12.895462
10.756073
1.90577
other
Ti4O6
10
11
110.05
mp-2309
-2.642095
-2.835304
-5.562095
other
Tm8S12
20
11
441.84
mp-9920
-3.931582
-0.128629
-4.41181
other
Ti2S6
8
11
153.21
mp-1208933
-5.929118
-4.765474
1.050832
other
Sm8Sb20
28
11
842.89
mp-1206244
7.295424
8.471313
-1.314232
other
Lu2O4
6
11
83.72
mp-30420
-7.269116
-6.51707
2.914133
other
Sr20Au20
40
11
1,181.9
mp-1048410
0.045828
2.072755
2.404403
other
V2N2
4
11
35.07
mp-29661
-5.957498
-3.858741
4.166112
other
Si10Pt12
22
11
337.07
mp-2234
-2.658977
-2.786059
-5.554151
other
Er12S18
30
11
691.59
mp-1239169
-4.219946
0.217496
-4.736045
other
Mo2S6
8
11
209.34
mp-9853
-3.735585
-3.904899
0.699111
other
Lu2P10
12
11
234.95
mp-1206559
6.85304
8.490084
-0.904393
other
La2O4
6
11
106.21
mp-27561
5.374508
1.707852
0.739473
other
Rb18O4
22
11
1,365.01
mp-7459
-8.802545
1.565404
-3.373662
other
Te8Mo4
12
11
329.45
mp-1181235
7.101533
8.468455
-1.048955
other
Gd2O4
6
11
91.9
mp-1215902
7.398782
8.530068
-2.480401
other
Yb6O14
20
11
531.7
mp-1185167
-3.682982
-3.983348
0.614076
other
La4P20
24
11
508.89
mp-1206731
7.022473
8.484654
-1.183419
other
Dy2O4
6
11
90.6
mp-28149
-6.174608
-5.489576
0.282952
other
Bi18I4
22
11
842.85
mp-1073484
-2.653178
-5.404339
6.944369
other
Mg4Si8
12
11
226.12
mp-9849
-3.702515
-3.926377
0.687596
other
Sm2P10
12
11
252.67
mp-555853
-4.037164
-1.43149
-5.775664
other
In12S14
26
11
609.34
mp-1073794
-2.259925
-6.704264
7.608983
other
Mg6Si6
12
11
230.06
mp-1075481
-2.139808
-5.863045
7.440778
other
Mg10Si12
22
11
403.12
mp-13451
-5.970219
-4.704007
1.078268
other
Dy8Sb20
28
11
801.85
mp-615820
-6.458153
-4.461558
2.708134
other
Pu8Pt4
12
11
291.46
mp-1007786
-7.644381
-3.244996
4.317145
other
Hf2Ir2
4
11
72.26
mp-573815
-0.845707
1.917108
-3.275876
other
Re6I18
24
11
963.06
mp-1041395
6.470316
8.870921
-1.243935
other
Bi8O16
24
11
539.07
mp-680742
-3.697132
-4.000608
0.698275
other
Gd2P10
12
11
248.09
mp-1048
-7.362444
-2.20641
3.304904
other
Ti2Ni2
4
11
53.41
mp-31139
-8.152648
-5.290153
5.822482
other
Tb12Ni12
24
11
474.79
mp-1073478
-2.575046
-5.416242
7.032378
other
Mg4Si8
12
11
217.38
mp-1094289
-6.196601
-4.261169
3.203396
other
Zr6Sn6
12
11
286.35
mp-1067210
-6.622568
-3.661154
4.178762
other
Zr2Cu2
4
11
71.09
mp-28062
8.383825
2.032092
-0.458567
other
Sb8F28
36
11
539.76
mp-1001825
-5.217916
-2.848346
4.626603
other
Li2Be2
4
11
44.6
mp-1178867
8.951403
10.751939
-4.200876
other
V6O18
24
11
349.07