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-31872
11.840899
7.904985
-7.605976
other
Fe10P12O44
66
14
863.81
mp-540558
5.961811
3.523784
-4.081524
other
S20N16O12
48
14
909.38
mp-604209
8.367052
1.330458
-4.056639
other
H48S8N16
72
14
900.49
mp-1199531
0.800981
1.274443
-4.102567
other
Gd20C8Cl36
64
14
1,719.66
mp-26750
9.292933
8.021915
-5.59484
other
Fe4P8O28
40
14
520.7
mp-1199525
13.005964
7.176996
-5.76922
other
U4P16O48
68
14
1,173.82
mp-677245
-4.717465
-5.497106
0.597706
other
Na8Sr12As16
36
14
1,047.21
mp-31259
7.497463
6.513042
-2.968682
other
Bi4I12O36
52
14
798.9
mp-772063
1.10812
1.753138
-5.24142
other
Ba8La8Cl40
56
14
1,843.13
mp-558040
10.747291
10.924543
-3.811332
other
Cu8Mo8O32
48
14
677.16
mp-505465
11.165578
7.716892
-2.680026
other
As8Pb8O20
36
14
634.67
mp-731882
5.930972
5.461389
-4.16714
other
Sn4Cl12O16
32
14
842.91
mp-1203522
1.42823
2.745987
-6.040266
other
Cs16Hg8Cl32
56
14
2,034.3
mp-1180814
6.635985
6.051005
-3.709064
other
Lu4Br12O32
48
14
917.66
mp-1041470
7.7592
10.029744
-3.808033
other
Cr8Cu8O32
48
14
648.57
mp-1197980
8.932385
1.395814
1.02242
other
Cr4Pb8F28
40
14
580.46
mp-1213748
7.546124
5.872363
-3.531622
other
Cs8W4O32
44
14
860.29
mp-1237084
7.678488
9.034983
-1.949735
other
Yb4Sb4O16
24
14
313.95
mp-558706
-3.899577
-1.384686
-5.733516
other
Rb4Ga12S20
36
14
924.97
mp-850331
10.002533
2.647253
2.141998
other
Li8V4F16
28
14
323.94
mp-28668
6.457976
0.654332
-3.472379
other
B36H44N16
96
14
1,037.97
mp-1214990
7.314546
5.044597
-5.129337
other
Ba4C8O24
36
14
599.72
mp-8993
10.296169
7.560816
2.930956
other
Sm8S8O4
20
14
413.03
mp-11790
-4.393751
-3.832112
-3.930604
other
La4Cu4Se8
16
14
373.31
mp-727413
7.528293
6.582299
-3.011038
other
K8I16O48
72
14
1,261.99
mp-754663
12.023478
6.092349
-1.731103
other
Na4Be4O6
14
14
129.51
mp-1191752
8.59631
8.026352
-2.834536
other
Ba4Te4O16
24
14
449.02
mp-1201110
10.362159
10.116217
-1.54168
other
Pb12W4O24
40
14
752.09
mp-757076
12.927026
6.189962
-6.989209
other
Sn4P8O28
40
14
546.01
mp-1209058
-0.077093
0.662001
-3.325876
other
Sm8Tl4Br20
32
14
962.11
mp-1209423
-1.265372
2.071429
-1.737646
other
Rb4Ba8I20
32
14
1,474.32
mp-778513
9.907458
0.814341
0.278249
other
Li4Fe4F16
24
14
343.15
mp-756139
6.789186
6.104215
-3.276783
other
Ag4Br4O16
24
14
375.34
mp-8516
10.001632
4.599655
-6.442073
other
Cd4S4O12
20
14
300.59
mp-3476
12.772968
6.494045
-6.228221
other
P16Pb8O48
72
14
1,016.47
mp-780534
6.460058
0.445673
-3.493273
other
Rb8B40H40
88
14
1,171.89
mp-683918
5.496778
2.337037
-3.087943
other
Rb12C24N36
72
14
1,205.68
mp-1207670
8.39702
1.481749
-0.205967
other
Yb4Sn4F28
36
14
573.52
mp-27776
1.054487
2.165243
-5.349879
original
Cd8As4Cl8
20
14
549.84
mp-734390
7.931684
2.248895
-0.882714
other
Bi4N4F16
24
14
408.47
mp-767553
-5.508248
-4.339366
-2.15633
other
Li28Sb8S4
40
14
780.85
mp-769347
10.680082
4.523917
-6.58052
other
Mg4S4O12
20
14
248.29
mp-1203744
12.38215
5.275515
-2.632226
other
B20Pb8O42
70
14
872.35
mp-28303
-4.675369
-2.977683
-3.878815
other
Na24Si8Se32
64
14
1,680.86
mp-776077
10.294962
1.753212
2.174922
other
Li8Fe8F24
40
14
506
mp-1197536
6.264799
4.985641
-4.672361
other
Er4N12O36
52
14
665.33
mp-18195
11.947525
7.026761
0.684655
other
Lu8Si4O20
32
14
379.08
mp-554711
3.766987
2.879309
-4.210825
other
C4S4Cl8
16
14
434.09
mp-1178989
6.468389
12.226002
-1.394856
other
Tl4Ni4O12
20
14
223.64
mp-849308
7.695074
9.799748
-3.63745
other
Cr4Ag4O16
24
14
333.65
mp-558192
13.261418
5.896737
-6.61399
other
Na8P8O24
40
14
505.43
mp-1273989
6.575335
11.229987
1.063516
other
La4Co4O12
20
14
243.2
mp-1214248
5.219686
2.570098
-3.494896
other
C16N4Cl8
28
14
578.64
mp-1376964
9.977968
0.675989
0.278342
other
Zn4Fe4F20
28
14
368.59
mp-1044227
9.992529
10.640998
-3.39672
other
Bi4W4O20
28
14
582.39
mp-1020027
12.95654
6.870091
-7.241615
other
Li16P8O28
52
14
588.82
mp-1191837
9.203698
5.064177
-6.176098
other
Cs4S4O16
24
14
472.89
mp-1042536
11.351156
11.184159
-2.68714
other
Co8W16O56
80
14
1,338.02
mp-772212
13.008431
10.568646
2.249961
other
Li4Nb20O32
56
14
777.44
mp-557406
13.780396
4.142569
-2.318116
other
Na12B36O60
108
14
1,247.07
mp-1178284
5.229099
11.788516
-2.384539
other
Fe10O16F4
30
14
326.45
mp-754072
14.736403
12.251015
-0.971126
other
V4O4F4
12
14
121.48
mp-778589
9.93346
8.642744
2.482056
other
Ba24Ce12O42
78
14
1,718.18
mp-31036
-5.509105
-2.848128
-2.411832
other
Cu4Te8Br4
16
14
486.89
mp-779463
13.563372
5.548144
-6.889895
other
Dy8P16O52
76
14
1,154.25
mp-1188982
-5.672318
-1.967432
4.430827
other
Tm4Si8Mo6
18
14
294.74
mp-1179472
6.227755
5.365974
-4.45414
other
Th4N16O64
84
14
1,482.44
mp-1209135
6.648785
4.99981
-4.691303
other
S12N8O16
36
14
601.72
mp-1200382
7.521046
7.321609
-4.156693
other
Pr8Se12O64
84
14
1,443.56
mp-769023
1.221802
2.013146
-5.269041
other
Ba4Y14Cl50
68
14
2,754.35
mp-1192595
-4.504821
-3.295819
-3.724882
other
Ba8Sn4Se16
28
14
933.84
mp-779018
12.889023
0.863203
1.98665
other
Fe6O4F8
18
14
219.26
mp-1102580
-6.532747
-3.052461
0.215432
other
Fe4Sb4Te4
12
14
248.61
mp-1181214
9.206209
3.476827
-5.222563
other
H12C4O12
28
14
260.14
mp-14695
13.013318
10.487195
-0.175445
other
Sn4Mo20O32
56
14
839.17
mp-561700
13.087609
6.426982
-6.778286
other
La4P20O56
80
14
1,097.35
mp-28537
11.428977
7.837655
-3.009719
other
As8Pb4O16
28
14
480.87
mp-1327604
9.437022
0.707352
-0.439224
other
Mg4Ni4F20
28
14
332.66
mp-1205383
11.342753
7.649611
0.948506
other
Nd8Ge4O20
32
14
463.88
mp-1103256
-6.417338
-2.448038
0.044564
other
Fe4Sb4Se4
12
14
215.39
mp-540923
-3.304804
-4.636296
0.98711
other
Ba12Sn4P12
28
14
911.32
mp-554874
11.238549
7.954204
-1.670357
other
Cu4Ge4O12
20
14
212.59
mp-1199792
-2.993292
-2.240814
-5.914738
other
Gd16Si12S48
76
14
1,783.17
mp-781622
11.348024
4.315663
-3.353898
other
Lu8H24O24
56
14
667.25
mp-776795
-0.234646
0.757418
-3.760472
other
Ba4Y4Br20
28
14
1,082.56
mp-1192806
6.578407
4.437217
-4.855303
other
Cu2C8O16
26
14
541.55
mp-753748
-4.241399
-1.394252
-5.653983
other
Li12Cu4S8
24
14
405.77
mp-571523
-0.401213
0.724915
-2.540523
other
La44C44Cl28
116
14
2,488.61
mp-28745
-5.478751
-2.090477
-1.663803
other
Nb8Te24I4
36
14
1,191.7
mp-1182399
6.36344
5.48275
-4.295149
other
Ca4N8O40
52
14
759.38
mp-558621
14.076787
4.617087
-2.053592
other
Ce4B12O24
40
14
360.01
mp-675232
11.34458
12.186903
-1.179334
other
Cr4H4O8
16
14
139.17
mp-1214794
-5.772591
-2.195419
-0.692999
other
As4Ru4Se4
12
14
212.12
mp-669476
1.108802
1.621475
-5.153283
other
Ba8Sc4Cl28
40
14
1,170.33
mp-566534
12.495837
6.916962
-7.180879
other
Eu4P20O56
80
14
1,013.66
mp-27722
3.996315
3.027404
-4.364634
other
Pd4S24N8
36
14
1,062.22
mp-1347935
8.49845
1.664365
0.844178
other
Ca4Sb4F20
28
14
472.44
mp-28332
-1.213296
2.96948
-3.041095
other
Cs4Tl4I16
24
14
1,268.9
mp-1209026
11.340307
10.957734
-4.089477
other
Sm4Mo4O20
28
14
442.08
mp-755984
8.415099
11.129898
0.082508
other
Na12Mn4O12
28
14
399.89