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-557877
8.088112
3.711595
-3.344579
other
C8Se4S8O28F24
72
14
1,134.11
mp-720299
9.976334
2.530233
-2.619423
other
Zr2Cu2H16O8F12
40
14
434.48
mp-706367
12.308915
5.1394
-5.419261
other
K8Ca8P24H32O88
160
14
2,086.89
mp-722266
9.987134
2.862982
-3.822966
other
Na8Ge4H64Se12O32
120
14
1,451.96
mp-1198888
8.68235
1.274289
-4.43661
other
La4H64C16Cl12O16
112
14
1,385.82
mp-1198120
10.05949
2.289742
-2.050321
other
Ca4Si4H16O8F24
56
14
568.65
mp-720197
9.110151
2.399992
-4.129792
other
K16Ge4H16N8O12
56
14
867.47
mp-736259
4.869885
2.855652
-3.665617
other
Hg4H16C16N8Cl16
60
14
1,491.06
mp-1199760
8.603661
2.769949
-4.757561
other
U4H72C16N40O52
184
14
2,133.59
mp-1196853
9.260513
2.823551
-4.894247
other
U8H48C16S16O64
152
14
2,027.14
mp-542045
9.127013
6.773897
-3.700705
other
U4Tl4H4Se8O32
52
14
904.87
mp-555121
8.180779
2.293423
-1.158199
other
Mg4As8S8O16F48
84
14
1,401.04
mp-1201166
9.917272
3.004208
-4.215896
other
Mo4H36S8Cl16O16
80
14
1,253.53
mp-1194544
9.883172
2.971848
-2.976493
other
V4H16N4O8F16
48
14
515.85
mp-707364
8.042217
3.376846
-4.814852
other
Ag8H24C8N24O32
96
14
1,141.03
mp-1210344
8.526123
2.71193
-4.962025
other
Sm4H52C32N24O52
164
14
1,653.1
mp-1212643
2.241051
2.843199
-4.797821
other
H4Pb12Cl16O4F4
40
14
965.75
mp-733489
3.254367
2.837592
-4.114116
other
Sb4H4C8N4Cl44
64
14
1,709.84
mp-863299
10.476382
4.118972
-5.000651
other
Cs4Co2H24S4O28
62
14
747.92
mp-704853
5.940568
3.464064
-4.670103
other
Cr4Fe16P8C72O72
172
14
3,011.32
mp-758281
12.841133
5.180213
-5.863
other
Rb4B8P8H4O36
60
14
749.16
mp-510463
10.459317
4.275484
-6.400897
other
K4Ce4H8S8O36
60
14
826.54
mp-543046
13.073093
5.373706
-6.101888
other
Cs4Sc4P8H8O32
56
14
753.74
mp-1237824
9.694608
5.058012
-4.227487
other
Rb4Mn2H24Se4O28
62
14
828.55
mp-1201918
10.245005
4.340393
-4.057174
other
Cs4Te2H12Cl4O12
34
14
555.77
mp-1211914
12.262192
4.94204
-5.343451
other
K4Y4P8H16O36
68
14
846.61
mp-780006
10.259288
4.585192
-4.596601
other
Rb4Mg2H24Se4O28
62
14
750.82
mp-1238275
9.293769
4.395804
-4.226013
other
Ni2H40Se4N4O28
78
14
1,007.24
mp-1200218
14.064132
7.156841
-5.579952
other
K4Fe6P8H8O32
58
14
723.78
mp-566960
7.809529
5.29078
-5.128059
other
Pd4C8S8O32F8
60
14
1,004.51
mp-1214256
11.766493
7.228463
-4.337994
other
Ca4Mn2As4H4O16
30
14
401.15
mp-1212586
7.766508
2.554168
-4.535465
other
H4C16N4Cl8O12
44
14
733.75
mp-1215128
10.191509
4.937034
-4.304862
other
Cs4Mg2Cr4H24O28
62
14
790.36
mp-1210375
12.880673
5.896442
-1.381508
other
Na4Zr2Si8H8O26
48
14
582.14
mp-1201146
8.592414
1.955812
-4.480059
other
H24C4S4N8O4
44
14
470.39
mp-1211711
12.652934
6.29097
-0.509256
other
K4Na8Ga12Si12O48
84
14
1,160.12
mp-744309
8.961438
4.831656
-4.135637
other
Ni2H40Se4N4O28
78
14
983.17
mp-600218
8.469378
1.094986
-4.411558
other
Sb4H48C16N4F16
88
14
1,012.39
mp-1194919
10.013575
4.726285
-5.86317
other
Eu4Cu2H8S4O24
42
14
489.06
mp-1192821
8.197952
2.256394
-0.696479
other
Na4Sb4Br4O4F12
28
14
545.37
mp-554371
13.454518
4.845353
-2.120457
other
Ca4Si4B4H4O20
36
14
366.95
mp-1198312
12.315006
5.09172
-5.400517
other
Cs4Na12P16H24O60
116
14
1,523.19
mp-1211200
11.262565
4.427555
-4.549885
other
Mg2U4P4H40O44
94
14
985.77
mp-730422
12.13058
6.542603
-6.615149
other
K4Sb4P4O16F8
36
14
631.28
mp-1199409
7.75168
0.15948
-4.425788
other
Si8B4P4H112C36
164
14
1,938.11
mp-1212078
8.483089
2.556967
-0.943973
other
K8Mo4H4O12F16
44
14
753.96
mp-569751
7.888112
0.507011
-4.450665
other
Al8P8H64C16Cl32
128
14
2,221.7
mp-766703
9.330403
3.718039
-8.46884
other
Li12Co4P4C4O28
52
14
533
mp-768646
9.026906
4.725619
-8.430284
other
Li8Fe4P4C4O28
48
14
547.09
mp-728910
12.203563
7.106032
-5.81883
other
Cs4Sb4P4O16F12
40
14
711.85
mp-1213465
11.303404
6.408217
-4.417646
other
Cu4Ag4As8H12O32
60
14
707.81
mp-1194877
8.633253
2.071549
-4.573671
other
Si4H64C32N16O32
148
14
1,539.74
mp-1193616
4.130653
2.421306
-3.34
other
K4Pt2C8N8Cl4
26
14
559.78
mp-637502
5.646078
3.479588
-4.602862
other
Mn8Sn4C40Br8O40
100
14
1,924.27
mp-709068
8.525106
1.385702
-4.5121
other
H84Os4C36N4O28
156
14
1,518.82
mp-532743
13.60059
6.690974
-7.20766
other
Li4Ti8Ni2P8O40
62
14
704.67
mp-707177
7.956687
2.967592
-3.269072
other
H4C20N12O8F32
76
14
971.31
mp-1181187
5.684828
4.479945
-4.252089
other
K8Mo2C8N8O16
42
14
814.6
mp-781672
10.244394
4.479474
-5.053977
other
Li4Fe4H32S8O48
96
14
1,020
mp-761139
14.012934
7.807013
-6.006908
other
K8Li4V4P4O24
44
14
678.44
mp-1212760
8.972212
7.640338
-4.910499
other
Fe4B4P8N4O36
56
14
763.91
mp-1196510
9.245393
6.243065
-4.772604
other
K4V4H8Se4O28
48
14
634.49
mp-1211120
6.588271
5.339464
-4.438201
other
Ni2H12S4N4O16
38
14
725.69
mp-696031
11.936172
4.820137
-5.019741
other
Zn4Fe2P4H16O24
50
14
495.42
mp-1194695
8.208622
2.259457
-1.093034
other
Hg4Te8Kr6O8F52
78
14
1,450.93
mp-510730
10.676333
4.184978
-4.91323
other
K4Fe2H24S4O28
62
14
687
mp-1214846
8.625837
2.564846
-4.887194
other
Ba4H24C8N16O20
72
14
805.27
mp-24362
9.19793
2.183831
-4.557615
other
Cu4H24C4N8O12
52
14
486.35
mp-541977
4.233948
2.304515
-3.226969
other
Cs4Na2Fe2C12N12
32
14
650.39
mp-570040
7.265217
1.211656
-4.210782
other
Cu4H20C20N4Cl4
52
14
685.79
mp-696089
10.402382
3.486152
-4.485028
other
Zn2H40S4N4O28
78
14
728.89
mp-557793
8.590018
1.314304
1.119092
other
Rb16Li4Zr12H8F76
116
14
1,863.74
mp-568659
8.051643
1.907405
-4.65452
other
Cu2H16C4N24Cl4
50
14
560.35
mp-727116
10.202773
5.967175
-5.517621
other
Al4P12C12N4O36
68
14
1,039.8
mp-770604
9.583558
3.542769
-5.502348
other
Li4Co2H16C4O20
46
14
412.08
mp-1203931
10.277896
4.667695
-4.47669
other
Tl4Cu2H24Se4O28
62
14
759.17
mp-707366
8.211905
3.474031
-4.841962
other
Nd4H48C8N28O52
140
14
1,500.58
mp-1194855
13.460851
6.85899
-6.490566
other
Mn8Zn4P8H8O36
64
14
725.75
mp-510545
10.532187
4.300431
-5.845173
other
K8Be4H16S8O40
76
14
967.32
mp-1194984
8.079592
3.357729
-3.230244
other
Te8C16S12O24F36
96
14
1,677.41
mp-1197665
10.341253
4.606032
-4.556315
other
Mg2Tl4H24Se4O28
62
14
767.7
mp-1212504
14.111785
7.562275
-3.69547
other
Nd8P12H20W4O36
80
14
1,060.5
mp-707310
12.715585
5.606696
-5.963871
other
K8Zn12P16H16O48
100
14
1,522.4
mp-559873
7.861251
3.517477
-3.525455
other
C12S12N12O24F36
96
14
1,498.62
mp-1229312
10.17196
6.975599
-5.736003
other
Al12P12C16N4O52
96
14
1,370.96
mp-1194654
8.073734
0.788362
-4.641209
other
Hg8H32C8N4Cl20
72
14
1,309.86
mp-24758
10.287386
3.736227
-4.378594
other
Co2H40Se4N4O28
78
14
745.84
mp-1200341
3.855083
3.210568
-4.420458
other
P24S24N24Cl96O48
216
14
5,284.15
mp-604909
12.797417
5.378689
-2.093729
other
Ca32Si16H16C8O88
160
14
1,991.1
mp-704550
5.70441
3.438873
-4.613411
other
Mn8Sn4C36Br4O36
88
14
1,720.65
mp-1221910
12.887657
4.278545
-2.900592
other
Na4Mg2B24H32O56
118
14
1,120.54
mp-24196
10.524717
4.06977
-4.931345
other
Tl4Cu2H24S4O28
62
14
708.55
mp-1229226
10.850117
7.483169
-1.946329
other
Al8Cu4Si8O32F4
56
14
619.71
mp-943469
10.503656
4.282557
-6.62806
other
Li4Mn4H4S4O20
36
14
399.99
mp-775341
10.856238
4.305606
-4.102659
other
Na16Cr4H32S4O28
84
14
884.85
mp-557521
9.327933
1.803063
-4.442883
other
P4H32C8N4O16
64
14
623.39
mp-559376
13.271442
5.186772
-6.513366
other
Na16Ca8P8O32F8
72
14
952.83
mp-600171
7.491152
1.778606
-4.23457
other
Zn4H32C16N32Cl8
92
14
1,178.15
mp-1203718
8.731749
1.467164
-4.551122
other
V4H44C12Cl8O16
84
14
1,096.46
mp-1201808
12.516431
5.280255
-5.493106
other
Ba4Mn2P8H12O32
58
14
686.59