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-9656
9.13116
8.982375
2.451951
other
Ba2Y4Pd2O10
18
127
258.33
mp-22250
-8.523955
-1.84628
3.906928
original
Mg4Si2B4Ir10
20
127
258.59
mp-554531
8.782753
9.589635
2.565189
other
Li22La24Fe6O56
108
127
1,333.22
mp-9785
9.330562
8.704841
2.551936
other
Ba2Ho4Pd2O10
18
127
254.03
mp-1217553
-7.532922
-1.14748
4.34989
other
Ti16Ni6B16Ru36
74
127
915.16
mp-1209000
-8.700581
-2.152774
3.902146
other
Sc4Cu2B4Ir10
20
127
268.02
mp-1207540
-8.807791
-1.657548
3.902643
other
Zn20Si2B16Rh36
74
127
916.61
mp-9759
8.996469
8.95161
2.184372
other
Ba2Pr4Pd2O10
18
127
276.31
mp-559549
10.517154
11.585399
3.327377
other
K4La2Nb10O30
46
127
652.41
mp-1209056
-8.624626
-2.133732
3.837579
other
Sc4Ni2B4Ir10
20
127
263.15
mp-1189749
-8.652021
-2.029607
3.927628
other
Mg4Ga2B4Ir10
20
127
265.09
mp-1211647
10.575011
11.582868
3.320547
other
K4Pr2Nb10O30
46
127
649.59
mp-1208983
-8.636499
-2.159312
3.986509
other
Sc4Ga2B4Ir10
20
127
271.88
mp-1210516
10.731377
11.644828
3.391578
other
Na4Ho2Ta10O30
46
127
621.14
mp-1208990
-8.659386
-2.01144
3.952884
other
Sc4Co2B4Ir10
20
127
268
mp-1197511
-7.480954
-1.172011
4.424487
other
Ti18Mn4B16Ru36
74
127
924.71
mp-1207543
-8.803046
-1.64182
3.926223
other
Zn20Ge2B16Rh36
74
127
900.34
mp-652101
-8.814387
-1.601718
3.953132
other
Zn20Fe2B16Rh36
74
127
921.46
mp-1210770
10.960069
11.749158
3.217726
other
Lu2Ta10Ag4O30
46
127
618.59
mp-1211205
-8.816575
-1.637502
3.964097
other
Mn2Zn20B16Rh36
74
127
927.8
mp-1105674
-8.574105
-1.997978
3.770045
other
Mg4Be2B4Ir10
20
127
250.02
mp-1199093
-7.50738
-1.167984
4.386837
other
Ti18Ni4B16Ru36
74
127
928.28
mp-557498
9.503166
8.815369
-0.754996
other
Na4Bi8Au4O20
36
127
571.72
mp-1207661
-8.851892
-1.586215
3.971583
other
Zn20Co2B16Rh36
74
127
923.83
mp-1207508
9.658953
10.920735
1.345134
other
Yb2Ta10Ag4O30
46
127
624.21
mp-1188988
-8.662455
-2.120462
3.889864
other
Mg4Ti2B4Ir10
20
127
268.97
mp-14334
8.311078
0.741264
0.787451
other
K4Rb2Pd2F10
18
127
343.79
mp-1189623
-8.5042
-1.973033
3.829423
original
Mg4Mn2B4Ir10
20
127
263.34
mp-1209559
-8.873397
-1.6766
4.007483
other
Sc2Zn20B16Rh36
74
127
935.74
mp-1105217
8.832265
9.220448
2.158366
other
Ba2La4Pd2O10
18
127
287.5
mp-1188243
-8.481581
-1.900906
3.790459
other
Mg4Fe2B4Ir10
20
127
261.55
mp-504593
8.536888
4.145349
-6.180418
other
Pb8C4Cl8O12
32
127
617.11
mp-557605
-0.870474
1.864171
-4.234857
other
Hg8Pb4S8I8
28
127
899.31
mp-1212605
10.836388
11.742354
2.98651
other
Gd2Nb10Ag4O30
46
127
635.02
mp-20212
8.914833
8.836957
2.504213
other
Ba2Pr4Cu2O10
18
127
274.56
mp-1211895
10.546818
11.592799
3.316586
other
K4Nd2Nb10O30
46
127
648.51
mp-1211773
10.583566
11.63019
3.30053
other
K4Tb2Nb10O30
46
127
643.79
mp-21546
10.61368
11.477846
3.25199
other
K4Ce2Nb10O30
46
127
649.02
mp-1200174
-7.510382
-1.130995
4.40193
other
Ti18Co4B16Ru36
74
127
927.98
mp-21542
10.717465
11.405519
3.381274
other
K4Ce2Ta10O30
46
127
637.89
mp-9740
9.29054
8.807038
2.54026
other
Ba2Dy4Pd2O10
18
127
256.59
mp-1106350
4.026049
3.597084
-3.804732
other
Pd2N8Cl4O2
16
127
352.83
mp-9760
9.124798
8.774364
2.445876
other
Ba2Tb4Pd2O10
18
127
259.3
mp-1207743
10.952325
11.733088
3.22691
other
Tm2Ta10Ag4O30
46
127
620.63
mp-1208987
-8.537226
-2.134238
3.869873
other
Sc4Mn2B4Ir10
20
127
272.07
mp-1210783
0.906295
2.239127
1.796394
other
Li4Ca2Mn4N4
14
127
186.02
mp-1104693
-1.210927
0.697562
0.586717
other
Li2Ca4H2C6
14
127
175.51
mp-1105793
-8.493649
-1.92296
3.807846
other
Mg4B4As2Ir10
20
127
269.1
mp-1106175
-8.609992
-2.014026
3.889735
other
Mg4Ge2B4Ir10
20
127
259.34
mp-1212064
10.592641
11.601453
3.276705
other
K4Dy2Nb10O30
46
127
642.84
mp-1213131
10.958502
11.731675
3.217804
other
Er2Ta10Ag4O30
46
127
621.09
mp-865031
-8.61461
-1.988083
3.91741
other
Mg4Zn2B4Ir10
20
127
265.47
mp-565929
10.246488
11.404032
3.046402
other
K4Eu2Ta10O30
46
127
638.68
mp-22425
-8.543162
-1.988398
3.909648
other
Sc4Fe2B4Ir10
20
127
267.02
mp-1212050
10.576744
11.625886
3.281632
other
K4Ho2Nb10O30
46
127
641.54
mp-1208997
-8.587076
-2.225658
3.947974
other
Sc4Ti2B4Ir10
20
127
277.79
mp-1189317
-8.512825
-1.974525
3.886032
other
Mg4Cr2B4Ir10
20
127
263.35
mp-20524
-8.503777
-2.0543
3.912529
other
Sc4V2B4Ir10
20
127
273.6
mp-1199668
10.284912
11.605558
3.178057
other
K4Eu2Nb10O30
46
127
645.1
mp-1212958
10.94475
11.727815
3.214204
other
Dy2Ta10Ag4O30
46
127
621.29
mp-1207566
10.540895
11.689243
2.645776
other
Yb2Nb10Ag4O30
46
127
633.8
mp-1105469
-8.617109
-1.998133
3.878268
other
Mg4V2B4Ir10
20
127
264.56
mp-542021
-8.856931
-1.626349
4.05533
other
Sc4Cr2B4Rh10
20
127
270.8
mp-1518749
9.438711
9.212248
2.025989
other
Ca4La2Sb2O12
20
128
298.31
mp-1203456
8.683412
1.177394
-4.202796
other
Hg2H32Br12N8
54
128
810.51
mp-1518059
5.949554
8.645164
-0.252679
other
Ca4Y2Bi2O12
20
128
295.12
mp-558689
7.37428
10.340541
1.251425
other
Ba4Pr2Ir2O12
20
128
313.26
mp-1220068
-4.195806
-3.512384
-3.004412
other
Rb4U12Pt8Se34
58
128
1,549.5
mp-1521669
9.940453
9.400861
0.800045
other
Ca4Bi2Sb2O12
20
128
290.39
mp-1196686
-2.904459
-2.187719
-4.622925
other
Cs4U12Pd8S34
58
128
1,389.47
mp-1188660
7.302314
10.341364
1.182395
original
Ba4Lu2Ir2O12
20
128
290.99
mp-1202036
-4.09532
-3.559922
-3.064041
other
Rb4U12Pd8Se34
58
128
1,546.48
mp-1518292
7.082761
8.833971
-1.176838
other
Pr2Zn2Bi4O12
20
128
296.67
mp-568357
-1.110034
1.593002
-1.75382
other
K8La12Os2I28
50
128
2,301.33
mp-1516776
11.422182
10.378618
0.523864
other
Ca4Bi2W2O12
20
128
289.17
mp-1200206
-2.906729
-2.176468
-4.61354
other
Rb4U12Pd8S34
58
128
1,352.14
mp-1208808
7.711547
9.749862
-0.438196
other
Sr4Li2Te2O12
20
128
260.31
mp-849260
8.212329
0.907521
-4.249003
other
Re2H16I12N4
34
128
761.38
mp-1519705
7.118167
8.759981
-1.09652
other
Pr2Mg2Bi4O12
20
128
293.65
mp-1208975
7.798812
9.222709
1.171337
other
Sr8Ca4Nb4O24
40
128
592.31
mp-1195486
12.448469
7.234468
-6.738062
other
Na8P16Pd12O56
92
128
1,278.42
mp-554564
-0.617175
1.224661
-4.211808
other
Ta16Bi32Br56O16
120
128
4,165.06
mp-12444
-4.324855
-2.719895
-5.444043
other
Sr2Cu2S2F2
8
129
134.19
mp-1182186
8.782462
11.311294
1.949697
other
Ba2Y2Mn4O10
18
129
246.07
mp-1078679
11.160954
7.808015
2.982733
other
Gd2Fe2As2O2
8
129
145.52
mp-974307
11.126562
7.955533
3.154555
other
Nd2Cu2Te2O2
8
129
159.92
mp-753559
8.973068
12.264358
-0.628201
other
Li4Ni4O4F4
16
129
145.64
mp-9195
-4.106353
-3.030474
-4.712026
other
Ba2Cu2Se2F2
8
129
168.08
mp-622621
11.176787
7.823433
3.012417
other
Nd2Fe2As2O2
8
129
152.26
mp-9929
-5.388326
-3.14391
4.450884
other
Zr2Cu2Si2As2
8
129
130.93
mp-635469
10.590516
7.791459
2.97725
other
Ce2Cu2S2O2
8
129
130.27
mp-1095151
-4.876133
-5.364425
0.563548
other
Ba2Cd2As2F2
8
129
194.02
mp-1078542
11.128031
7.840408
2.857973
other
Gd2Zn2As2O2
8
129
144.51
mp-1147531
11.18078
10.686636
2.098803
other
La2Ti2Ni2O8
14
129
179.72
mp-20807
11.343563
7.67766
2.52841
other
Sr2Fe2As2F2
8
129
161.99
mp-18745
11.262006
7.903976
2.998567
other
La2Mn2Sb2O2
8
129
181.58
mp-1211368
-6.069418
-3.443501
-1.875517
other
K2La2Cu2Te8
14
129
429.08
mp-1080135
-4.651813
-3.871764
-0.26865
other
Sr2Zn2As2F2
8
129
158.31
mp-760241
10.910263
1.36869
0.309832
other
Li4Co4O4F4
16
129
151.29
mp-753930
9.85364
12.486115
-2.899756
other
Li4V2Fe2O10
18
129
204.86