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-1212248
6.639621
5.453782
-4.342302
other
K8H12Os4N8O28
60
14
1,060.49
mp-1199631
8.787622
1.315961
0.289562
other
Na4Ca4Al4O4F24
40
14
526.91
mp-604789
9.434748
4.622649
-4.331924
other
K4Zn2H24S4O28
62
14
813.36
mp-557904
7.444179
2.516152
-1.630449
other
Sb8Se16S8N16F48
96
14
1,853.03
mp-560057
1.942987
2.803458
-4.400046
other
Zr2Mo4Se16Cl28O4
54
14
1,566.85
mp-1199782
8.486679
2.224164
-4.63422
other
Co4H64C24N24O32
148
14
1,296.25
mp-18959
12.931888
7.073364
-0.552319
other
Y4Be4Fe2Si4O20
34
14
364.35
mp-570587
8.241176
0.776945
-4.538393
other
Cd4H32C8N4Cl12
60
14
809.33
mp-1200592
11.518364
11.085398
-3.921242
other
Cs4Th4Mo8Cl4O32
52
14
1,030.05
mp-736545
5.380736
2.982973
-3.601032
other
Hg4H8C24N8Cl16
60
14
1,525.15
mp-605684
8.366863
2.373422
-5.071153
other
Mg12H52C36N4O52
156
14
1,737.38
mp-1203397
8.984987
3.45937
-5.63284
other
Zr4Cd4H40C24O68
140
14
1,502.95
mp-727374
5.961255
3.315795
-3.600572
other
Hg4As4C16Se12N4
40
14
1,134.61
mp-709074
8.317194
0.722632
-4.471841
other
Fe4H64C16N8Cl16
108
14
1,333.04
mp-650023
4.681939
2.720046
-3.627388
other
K4Pd2C8S8N8
30
14
640.08
mp-1198290
10.155821
4.74967
-4.469777
other
Na4U4H36Se8O48
100
14
1,217.61
mp-542944
10.489924
4.062791
-5.036695
other
Cs4Cu2H24S4O28
62
14
750.24
mp-558305
6.273341
5.090005
-4.451862
other
Rb4Ag8Pd6N24O48
90
14
1,385.93
mp-559433
8.377423
4.535089
-5.76835
other
K12V4H8C8O40
72
14
1,015.52
mp-1211927
8.304804
7.347004
-4.068863
other
K4U4H4Se4O28
44
14
793.33
mp-1203211
7.676559
2.476148
-3.200176
other
Cu2H8C20N8F28
66
14
847.13
mp-734394
12.305799
5.017736
-5.403193
other
K8Al8P16H32O72
136
14
1,502.46
mp-1020714
11.20812
7.986878
2.327408
other
Y16Al4Si4N4O32
60
14
833.47
mp-1201901
5.500591
3.318864
-4.518777
other
Cr4P4C20Cl12O20
60
14
1,201.36
mp-779875
10.296916
4.599573
-4.650338
other
Cs4Mg2H24Se4O28
62
14
758.87
mp-1182625
10.277905
10.02499
-3.841372
other
K12Na4Mo20Se8O92
136
14
2,287.95
mp-554482
8.587717
3.903674
-5.720765
other
Rb4Mo4H8C8O30
54
14
795.48
mp-1202641
7.732683
0.426309
-4.317232
other
U4B24H144C24N12
208
14
1,967.52
mp-1194989
13.267758
5.027319
-2.564462
other
Na4Ho4B4Te2O20
34
14
417.94
mp-504990
10.47497
4.248185
-6.45526
other
Rb4Ce4H8S8O36
60
14
855.83
mp-849336
14.634535
8.147655
-4.916164
other
Li4V6P8H8O32
58
14
662.37
mp-1207554
8.201884
2.255525
-1.291231
other
Zn2As4C8N4F36
54
14
834.99
mp-559679
9.237844
1.829506
-4.392391
other
P8H68C16N4O32
128
14
1,208.19
mp-782645
13.958697
6.911801
-6.634065
other
Li8Mn4P4H4O20
40
14
438
mp-1212763
5.18742
3.363673
-4.316307
other
Fe2Si4C8Cl12O8
34
14
794.06
mp-1194184
4.00842
2.263429
-3.166317
other
Rb4Pt2C8I4N8
26
14
667.18
mp-705528
12.738092
4.250044
-2.940069
other
Na4Ca4B20H32O52
112
14
1,021.08
mp-770612
10.947822
4.159465
-4.052702
other
Li16Cr4H32S4O28
84
14
717.47
mp-558884
10.814794
3.773956
-4.499289
other
Cr4P12H68N12O52
148
14
1,360.29
mp-638705
3.091929
2.865232
-4.19689
other
Fe4Te4S8N8Cl20
44
14
1,220.96
mp-1211267
7.628891
7.347583
-4.222377
other
Mg2C4S4N12O28
50
14
854.19
mp-1020647
13.68709
4.452298
-1.942658
other
Sr8Li4Be4B12O32
60
14
687.61
mp-553996
7.651577
6.943456
-3.554788
other
K8U4Cr4I8O48
72
14
1,281.96
mp-555090
8.550777
4.700291
-5.378115
other
Li4B4S16Cl16O48
88
14
1,664.06
mp-1181196
12.980843
5.721664
-2.70603
other
Mn4Zn8Si4H8O24
48
14
528.56
mp-1179039
10.206411
3.729268
-4.522106
other
V2H40S4N4O28
78
14
722.34
mp-1200689
9.004291
7.678043
-5.244669
other
K2Fe2P8H8O24
44
14
661.71
mp-542145
10.449039
4.19404
-5.337617
other
K8Mn4H32S8O48
100
14
1,178.96
mp-1181609
8.946677
4.003336
-4.877854
other
Mo4H24C8N4O30
70
14
1,072.36
mp-1182417
10.214316
4.468572
-4.993616
other
Fe4P4H20C4O32
64
14
828.41
mp-768688
8.392596
5.678288
-7.413814
other
Li4Mn4P4C4O28
44
14
532.02
mp-1203893
10.618406
3.300442
-4.463404
other
Sr4P12H60N16O40
132
14
1,321.12
mp-1194593
11.269029
12.208159
-3.016364
other
Na8Sr4Mn4V8O32
56
14
774.44
mp-1201063
8.249708
2.416041
-1.374499
other
As4S8Xe4N8F52
76
14
1,261.54
mp-1195240
9.664689
7.812639
-4.235763
other
Ba4V8H8Se8O44
72
14
1,040.34
mp-1205009
6.78723
1.03643
-3.782317
other
Al4B24H24C8Cl24
84
14
1,475.35
mp-510473
7.932911
1.827006
-4.512617
other
Fe4H36C12N28O8
88
14
965.85
mp-1205149
12.020096
4.71085
-4.969709
other
Fe6P8H24N4O32
74
14
740.67
mp-707888
8.252625
0.70948
-4.484138
other
Rb4As28H96C32N12
172
14
2,456.02
mp-771658
10.399407
4.182047
-4.838217
other
Li4Ni2H24S4O28
62
14
584.61
mp-861294
9.231893
3.962195
-8.482319
other
Li12Ni4P4C4O28
52
14
524.68
mp-1200667
7.938269
1.867471
-4.515302
other
Co4H36C12N28O8
88
14
990.96
mp-1195480
10.3653
3.32106
-4.690217
other
Be4H48S8N8O40
108
14
1,043.88
mp-1198362
10.244851
4.699872
-4.462888
other
Tl4Ni2H24Se4O28
62
14
732.31
mp-1195028
13.294827
5.033946
-2.612065
other
Na4Lu4B4Te2O20
34
14
405.41
mp-728003
10.261762
2.812559
-4.368226
other
Co4P8H68N16O36
132
14
1,258.38
mp-554756
9.670113
2.016354
-4.434621
other
P12H72C12N12O36
144
14
1,391.1
mp-775736
9.666195
2.124811
-4.213092
other
Co4P4H84N20O28
140
14
1,081.34
mp-850027
10.009071
2.234522
-3.820111
other
Cu8H96N16O16F32
168
14
1,403.79
mp-1210542
8.684801
2.775616
-4.752903
other
Ni2H40C8N20O24
94
14
948.65
mp-1199808
10.505919
4.136306
-4.888997
other
Tl4Ni2H24S4O28
62
14
691.37
mp-1204757
10.971863
8.075772
-7.036597
other
Cs4Al4V4P8O40
60
14
922.58
mp-696528
10.701011
3.345114
-4.686401
other
K4P4H12N4O12
36
14
440.9
mp-1182751
10.983225
7.005235
-2.094447
other
Ca4Mn4Be8Si20O68
104
14
1,313.51
mp-759299
11.723367
4.592654
-4.940999
other
Li4Mn2P8H32O40
86
14
834.4
mp-557393
4.722474
2.732443
-3.610766
other
K12Ag4C16S16N16
64
14
1,493.01
mp-1203909
7.767166
0.120649
-4.498349
other
K4Zn4Si12H132C48
200
14
2,523.08
mp-738654
9.085294
2.506073
-4.750866
other
U4H64C16N16O48
148
14
1,435.62
mp-542420
10.4895
4.155231
-5.007763
other
Cs4Ni2H24S4O28
62
14
738.48
mp-1201650
9.593125
2.35227
-2.123866
other
Ca4H16Ir4O8F24
56
14
633.73
mp-766695
9.676369
3.773465
-8.539708
other
Li12Cr4P4C4O28
52
14
553.99
mp-1199795
7.52722
0.158501
-4.180112
other
B32P8H156Rh4C52
252
14
2,584.31
mp-1205249
8.802555
1.693386
-4.566937
other
H52C16S8N4O24
104
14
1,165.06
mp-1212363
12.92034
9.859226
-0.464015
other
Sm4W16S8N4O32
64
14
1,181.9
mp-1201290
8.320759
2.305583
-1.091923
other
Tc4Sb4H8O8F40
64
14
991.63
mp-1215057
3.534739
3.371055
-3.908948
other
Co4Pd4N20Cl20O4
52
14
1,340.37
mp-1212200
13.060739
6.139082
-6.51689
other
K8Li4P12H4O36
64
14
988.43
mp-1197929
8.235581
4.896614
-4.980209
other
Nd4H8C8Cl8O36
64
14
872.31
mp-559670
12.345126
6.414324
0.013812
other
K4Ba4Y4Si8O28
48
14
734.32
mp-1204049
10.026634
3.656342
-4.287545
other
Cr4Ni2H40N4O28
78
14
734.91
mp-1202589
7.607548
2.041774
-4.478723
other
Zn4H20C36N16O20
96
14
1,130.46
mp-1202858
9.082468
5.374371
-6.002707
other
Hg8Ge4S24Cl8O84
128
14
1,968.62
mp-721082
10.223136
4.036102
-4.597322
other
Cr4H40S4N4O40
92
14
922.81
mp-1197819
8.99463
1.418065
-4.077029
other
Be12H168N52Cl12O12
256
14
2,575.31
mp-561244
8.27126
2.436039
-1.511428
other
As4C4S4Cl8F36
56
14
931.11
mp-766696
9.545693
3.633332
-8.405751
other
Li12Fe4P4C4O28
52
14
536.93
mp-1212547
11.743149
4.673227
-4.784762
other
K12Na4P8H32O44
100
14
1,223.59
mp-774810
12.496186
5.222822
-5.510897
other
Rb8P8H8O24F8
56
14
899.16
mp-778187
11.54231
4.620065
-4.923541
other
Li8Co6P8H36O48
106
14
971.66
mp-557470
8.723061
1.968737
-0.784717
other
K8Sb8S4O16F24
60
14
1,035.75