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-1203692
10.235644
2.680143
-4.510345
other
Mn4H32S4N8O16F12
76
14
734.25
mp-1203989
8.164189
0.760512
-4.457253
other
Ti4As4H72C24N12Cl16
132
14
1,746.71
mp-559029
8.044015
3.294328
-3.649985
other
Rb8C16S16N8O32F32
112
14
1,828.35
mp-1182659
8.444495
2.223827
-4.645469
other
Cu4H28C12S4N12O16
76
14
1,106.03
mp-650524
8.17279
2.368461
-1.141885
other
Sb12S8Xe4N4O16F72
116
14
2,005.31
mp-1196281
8.523466
1.866917
-4.535907
other
U4H64C24Se4N16O32
144
14
1,613.6
mp-1197156
8.193103
1.896427
-4.541822
other
Ni2H40C24S4N4O16
90
14
956.69
mp-1197776
8.201426
2.540173
-1.458058
other
Fe4Te12S12Cl12O36F72
148
14
2,727.54
mp-1196129
8.791279
3.661201
-6.773431
other
Na4Fe6P4H4C16O36
70
14
926.35
mp-600202
8.914746
1.431864
-4.284563
other
Mn4H40C4N4Cl12O8
72
14
841.64
mp-555080
9.13868
2.200225
-4.511274
other
P4H28C4N12O12F4
64
14
644.37
mp-1182055
8.667736
1.553357
-4.452097
other
Co2H64C16S8N4O20
114
14
1,385.48
mp-1213275
8.373562
2.80748
-4.793345
other
H40Pd4C8S8N32O24
116
14
1,306.6
mp-1198199
9.825654
2.672052
-2.312764
other
Na4V4Ni2H8O12F12
42
14
472.29
mp-773133
12.65856
5.337228
-5.82663
other
K12Cu4B8P16H12O68
120
14
1,522.52
mp-1209405
8.226817
2.640012
-4.914855
other
Sr4H24C24S8N8O28
96
14
1,271.63
mp-1194924
8.612278
2.413135
-4.687225
other
Ca4H48C8N28Cl4O24
116
14
1,274.5
mp-1194781
7.183576
1.049275
-3.707819
other
B40H56C40S4O12F24
176
14
2,150.58
mp-1181887
9.519051
9.907256
-4.061073
other
K12Mo16C4S4N4O64
104
14
1,908.4
mp-1198847
9.703332
3.009563
-4.649767
other
Co2H48C4S4N12O28
98
14
928.44
mp-1200033
8.26704
4.846671
-5.60781
other
Gd4H8C8S4N4O36
64
14
837.99
mp-559674
8.395474
1.215788
-4.49936
other
P4H64C24S8N4O16
120
14
1,271.34
mp-1212545
9.879553
4.272516
-5.490742
other
Na12P4H12S8N12O32
80
14
1,051.08
mp-1219942
8.33236
9.612563
1.487415
other
Sr8Y4Cu8Bi4Pb4O32
60
14
936.49
mp-1196734
8.101339
1.66194
-4.44544
other
Cu8H64C16S16N32Cl8
144
14
1,894.03
mp-1201099
2.679422
2.807637
-4.679288
other
Sb8Te12H8C4N8Cl72
112
14
3,263.8
mp-1212185
8.618462
4.001462
-6.462216
other
K8U4C8S8N4O32
64
14
1,194.81
mp-1196751
4.358094
3.208999
-3.909165
other
Te2C8S8N16Cl4O4
42
14
1,296.74
mp-1203390
11.548058
4.380985
-5.066835
other
Na4Sm4P8H16C4O28
64
14
699.78
mp-1179533
8.482821
1.525975
-4.195786
other
Te4H60C20N4O4F24
116
14
1,474.99
mp-696990
8.006294
2.677719
-4.715102
other
Na4P4H12C8N12O16
56
14
665.72
mp-1198616
12.7946
5.434211
-6.100021
other
Na4In4B4P8H4O36
60
14
666.61
mp-1199356
9.639268
3.486047
-5.51102
other
La4H24C8S4N4O36
80
14
879.02
mp-630391
4.705694
2.716873
-3.620273
other
Cs4Zn4Ag4C16S16N16
60
14
1,408.04
mp-1198264
8.378879
2.410615
-4.731883
other
Cu2H28C4N20Cl4O12
70
14
753.66
mp-1205203
7.862586
0.290159
-4.482856
other
Si12P4H108C36N8Cl8
176
14
2,267.5
mp-1182729
8.427853
1.970393
-4.476324
other
Ca2H32C8N16Cl4O8
70
14
758.7
mp-697946
9.544349
2.2328
-1.827678
other
Cs4Zr4Zn2H24O12F24
70
14
1,014.58
mp-1202929
8.105261
1.676238
-4.435055
other
Ag8H64C16S16N32Cl8
144
14
1,950.33
mp-554876
7.595524
2.633588
-2.396892
other
As4C4S8N8O4F20
48
14
781.13
mp-24710
11.793211
4.517992
-5.119578
other
V4B4P8H20N4O36
76
14
767.45
mp-1211545
12.061378
5.191685
-5.307241
other
K4Li4P4H12O12F4
40
14
531.57
mp-698440
5.45565
2.347239
-3.504846
other
Si4B4H4C12N4Cl8
36
14
766.21
mp-738663
9.086843
2.527847
-4.873694
other
Sn8H40C16N8O36F8
116
14
1,275.11
mp-1205289
7.750514
0.208232
-4.435735
other
Rb8Si16B8P8H216C72
328
14
3,848.07
mp-698430
8.903854
1.53017
-4.285755
other
Mn4H36C4N4Cl12O8
68
14
826.05
mp-1197397
8.351885
2.391578
-4.715091
other
Co2H28C4N20Cl4O12
70
14
746.24
mp-757312
12.789144
5.411309
-6.106762
other
Na4In4B4P8H4O36
60
14
708.72
mp-24347
10.055868
2.268943
-3.53172
other
Be4Co2H40N4O12F16
78
14
701.95
mp-542129
12.927159
5.298988
-6.039126
other
Cs4Al4B4P8H4O36
60
14
739.86
mp-1212264
9.097326
2.240041
-1.3618
other
K4Na4Ti4H8O12F16
48
14
641.38
mp-1238095
10.186411
3.636928
-4.88775
other
Sn4H16S4N4O16F4
48
14
651.52
mp-1196509
10.364746
3.050429
-4.494475
other
Cr4P12H64C12N4O48
144
14
1,385.67
mp-1179389
4.998253
3.097879
-3.838269
other
Te2C8S8N16Cl4O4
42
14
1,002.36
mp-1199298
7.925274
1.47555
-4.497431
other
Cu4H24C12S4Br12N12
68
14
1,068.76
mp-1203870
7.547624
1.613164
-4.312587
other
Co2H24C16S4N12O4
62
14
812.39
mp-1212156
6.32976
2.566273
-4.219448
other
K4H12C4S4N8O4
36
14
630.67
mp-567256
8.08291
0.569056
-4.466022
other
P8H76C24I8N4Cl16
136
14
2,001.34
mp-1198829
8.732762
2.234462
-4.473171
other
B4H28C8N16O4F16
76
14
771.55
mp-1199131
11.32546
4.461557
-5.191768
other
Na4Eu4P8H16C4O28
64
14
727.32
mp-24180
8.782094
2.049818
-4.612204
other
Rb4H24C8S8N4O16
64
14
835.22
mp-773079
10.189068
2.279962
-3.257053
other
Al4Zn4H64N4O24F24
124
14
1,080.49
mp-735184
9.652733
7.028924
-5.923868
other
Al4V4P8C8N8O36
68
14
1,002.13
mp-1212907
8.089475
1.833919
-4.595077
other
H20Pb4C8S4Br4N24
64
14
889.17
mp-1204761
8.599359
2.977283
-4.553635
other
Ho4H24C24Cl12O36F24
124
14
1,806.82
mp-1211315
8.260011
2.096313
-4.561321
other
Na8H48C16S16N24O16
128
14
1,578.23
mp-1182596
8.808863
1.523794
-4.462155
other
Co2H64C16S8N4O20
114
14
1,074.73
mp-707071
8.269533
2.130213
-4.628213
other
Zn2H20C8N12Cl4O8
54
14
577.15
mp-1197178
7.95882
0.446999
-4.515285
other
In4Si4H44C12Br12N4
80
14
1,421.18
mp-1194141
7.223114
2.521179
-1.9964
other
Ag2Sb2C4N4Cl4F12
28
14
596.73
mp-769075
8.655391
2.370476
-4.706593
other
Li4Cu2H28C8N12O16
70
14
611.49
mp-1197423
7.954966
0.421848
-4.441075
other
Ta4Si8H144C48N16Cl4
224
14
2,493.7
mp-767613
13.940907
6.971196
-6.159037
other
Rb4V4B4P8H4O36
60
14
775.41
mp-703426
8.426223
2.43258
-4.406107
other
Mg2H40C8Br4N16O12
82
14
1,187.09
mp-1198886
9.044399
1.923037
-4.536929
other
U4P8H60C20N4O52
148
14
1,851.55
mp-696992
8.754204
1.864944
-4.272355
other
Ag4P8H32S4N28O8
84
14
1,003.29
mp-1197380
8.683448
1.178546
-4.152756
other
Co4Hg4H72Br16N24Cl4
124
14
1,611.41
mp-1198749
12.773672
6.027978
-1.279095
other
Ca4Al4Si12Sn2H12O44
78
14
931.4
mp-735513
9.338478
1.824958
-4.228066
other
Co4H80S8N24Cl4O16
136
14
1,287.32
mp-1198211
10.185305
4.953338
-4.203911
other
Na4Ni2Mo12H52N4O60
134
14
1,474.09
mp-1224302
12.150123
5.774349
-5.620515
other
K4V4Fe4P8H20O44
84
14
931.86
mp-1226404
7.874138
0.397568
-4.52492
other
Cu4Si4H72C28S12I4
124
14
1,767.11
mp-690708
12.188458
4.886681
-5.214664
other
K4Li4P4H8O16F4
40
14
498.53
mp-1198491
10.044896
2.278742
-3.530484
other
Be4Ni2H40N4O12F16
78
14
683.37
mp-562382
12.53499
5.52837
-5.828228
other
Na4Co4B4P8H8O36
64
14
703.75
mp-604998
7.860334
0.226667
-4.563017
other
Cd4Si12P4H108C36Br8
172
14
2,256.84
mp-757463
12.427705
6.180279
-6.803262
other
Cs4Fe4B4P8H4O36
60
14
801.33
mp-772922
11.26681
3.891452
-4.922893
other
Al12P12H36C8N4O52
124
14
1,348.01
mp-556025
8.85207
2.564244
-4.574354
other
Mg2H16C4S4N4O8
38
14
498
mp-540920
8.973049
2.328313
-4.716989
other
Ca2P4H40C8N16O24
94
14
928.58
mp-1203969
10.381969
3.063319
-4.492815
other
Zn4P12H64C12N4O48
144
14
1,353.35
mp-559834
8.262502
2.305107
-0.998264
other
Ag4B4Te16C4O20F80
128
14
2,114.76
mp-720829
9.214612
2.668424
-4.836022
other
V4H32C8N8O24F4
80
14
797.37
mp-696078
9.666929
1.858432
-2.358469
other
K12Zr4H8S4O20F20
68
14
1,038.71
mp-695900
8.280837
2.498845
-1.657481
other
Sb4H4C4S4O12F32
60
14
877.97
mp-1205248
9.85584
4.478199
-5.637132
other
K12H12Pt4S8Br8O28
72
14
1,372.61
mp-1215040
5.207041
3.111643
-3.699504
other
Cd2Re4C8S8N16O16
54
14
1,210.49
mp-773092
10.253744
2.375241
-3.312484
other
Al4Ni4H64N4O24F24
124
14
1,056.67
mp-605166
9.332551
3.748903
-6.36024
other
K4Dy4H8C8S4O36
64
14
787.22
mp-1196639
7.735238
0.205628
-4.425438
other
K8Si16B8P8H216C72
328
14
3,796.4