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-1197598
9.671224
3.475157
-5.469958
other
Y4H24C8S4N4O36
80
14
802.34
mp-1183028
8.702981
1.84325
-4.25703
other
Ag4P8H32S4N28O8
84
14
1,077.71
mp-573080
8.347713
0.851542
-4.485456
other
As12H36Rh4C12Cl12O12
88
14
1,325.22
mp-735514
8.500341
1.946061
-4.549316
other
Mn2H36C8N16Cl8O8
78
14
841.08
mp-554559
8.814679
1.529792
-4.45296
other
Ni2H64C16S8N4O20
114
14
1,063.43
mp-1196506
8.084457
0.674538
-4.47161
other
Zr10Si12H72C24Br40O12
170
14
3,430.25
mp-697957
8.222532
1.725527
-4.497284
other
Zn4H32C8I8N16O8
76
14
1,142.79
mp-561214
3.847312
2.708391
-4.384244
other
Sb4H12C4S4Cl24O4
52
14
1,259.62
mp-1197904
8.349506
1.573603
-4.545845
other
Cd2H24C4S4N12Cl8
54
14
693.68
mp-555189
8.060695
3.519615
-3.772163
other
Rb8Li4C12S12O36F36
108
14
1,804.99
mp-1199371
9.207601
1.70716
-4.531963
other
Ga4P8H60C20N8O32
132
14
1,294.98
mp-1199373
8.535725
2.048425
-4.416309
other
Ag8H64C24S16Cl8O32
152
14
1,888.51
mp-1196454
10.079616
3.162943
-4.85448
other
Cu8H52C8S8N4O44
124
14
1,290.88
mp-557236
7.944501
2.331747
-1.453306
other
Te8As8Se32S4O8F48
108
14
2,433.78
mp-699477
6.12567
5.37474
-4.168181
other
Na4H24Ru4N4Cl16O16
68
14
1,518.08
mp-560424
8.125472
2.59392
-2.118564
other
As4C16S8Cl8O8F52
96
14
1,516.86
mp-728396
9.684212
3.030459
-4.647307
other
Ni2H48C4S4N12O28
98
14
921.32
mp-1195779
10.729434
6.17
-5.360358
other
Na4Nd4P8H8C4O28
56
14
705.41
mp-1202066
8.096972
1.65896
-4.435215
other
Ag8H64C16S16Br8N32
144
14
2,057.45
mp-1203533
8.613422
2.497291
-4.760128
other
U4H24C12Se4N8O28
80
14
1,018.72
mp-556018
8.499498
1.210837
-4.33863
other
Li4B4H60C20N4O12
104
14
952.69
mp-24761
12.913163
5.387715
-6.137318
other
Rb4Ga4B4P8H4O36
60
14
728.38
mp-729136
10.277219
2.981603
-4.68382
other
Mn4P12H40C12N4O36
108
14
1,061.64
mp-1202935
10.358005
2.996541
-4.498001
other
Co4P8H52C8N4O36
112
14
1,046.23
mp-1215048
8.649064
1.96969
-4.429453
other
Al4H40C12N24O4F20
104
14
938.51
mp-1198138
10.079089
3.127161
-4.925797
other
Sn4H16S4N4O16F4
48
14
622.42
mp-1204582
9.936528
2.513793
-2.284109
other
Na4V4Co2H8O12F12
42
14
477.51
mp-1197013
7.942584
0.645386
-4.323771
other
B8As4H52C12Br12N4
92
14
1,430.36
mp-1197878
9.384288
2.344101
-4.642568
other
Sm4P8H64C24N4O52
156
14
1,592.94
mp-709428
9.834044
2.992458
-4.932201
other
Y4H32C8S8N4O36
92
14
1,021.68
mp-766230
8.880878
3.63412
-6.514986
other
Rb4Na2Zn4H10C8O28
56
14
618.77
mp-1203992
8.236116
4.891673
-5.635983
other
Tb4H8C8S4N4O36
64
14
824.15
mp-1200994
8.486966
2.549091
-4.723562
other
Co2H16C4N8Cl4O8
42
14
503.7
mp-1196671
7.985849
0.39589
-4.447362
other
Li4Zn4Si8H188C68N16
288
14
3,082.04
mp-707938
8.79563
2.342107
-4.633524
other
Mg4H72C16S4N32O36
164
14
1,482.13
mp-735603
8.064276
1.836931
-4.425122
other
Ca2H32C8N16Cl4O8
70
14
1,048.13
mp-774283
9.166679
3.551246
-4.545098
other
Re8H24Pb4C4N8O40
88
14
1,196.95
mp-766957
11.515591
4.562354
-5.405726
other
Fe4B4P8H20N4O36
76
14
761.29
mp-601902
4.302586
2.322648
-3.323318
other
Tl8H4Pt4C20N20O4
60
14
1,159.47
mp-759611
14.560959
7.618237
-5.522717
other
Ba4Li4Ca4V4P8O36
60
14
784.39
mp-561270
8.907724
2.514438
-4.899853
other
Sn4H16C8N4O16F4
52
14
624.2
mp-1196156
7.925663
1.600157
-4.460667
other
Hg4H32C8S8N16Cl16
84
14
1,365.92
mp-1196580
9.779018
7.001362
-5.584346
other
Al4Co4P8C8N8O32
64
14
977.04
mp-1202149
9.833799
2.994621
-4.812098
other
Ag4H12Pd2S4N4O12
38
14
441.58
mp-561476
8.624153
1.274749
-4.439483
other
P4H32C8S4N4O8
60
14
730.55
mp-1202524
8.675944
2.324841
-4.65869
other
K4Cu2H28C8N12O16
70
14
754.85
mp-766204
8.302718
1.930192
-4.541881
other
Zn4P4H20C8N16O12
64
14
755.8
mp-1197049
8.263796
3.092512
-4.817253
other
Cd2H16C4S4N12O12
50
14
621.54
mp-1203028
10.551216
3.363906
-4.772275
other
Ga4As4H20C4N4O20
56
14
560.24
mp-1194969
7.990818
0.957939
-4.501312
other
H32Pb4C20S8I4N4
72
14
1,178.37
mp-1204537
10.652336
6.167169
-5.405608
other
Na4Dy4P8H8C4O28
56
14
673.63
mp-1204262
6.443615
5.519017
-4.441125
other
Na6Ir2S4N4Cl8O20
44
14
876.36
mp-1196604
11.507519
5.432265
-5.476635
other
Na4Ce4P8H8C4O28
56
14
703.48
mp-600234
8.806129
1.601467
-4.464484
other
Co2H64C16S8N4O20
114
14
1,153.2
mp-1195960
8.388513
1.979482
-4.459847
other
Ca2H48C12Br4N24O12
102
14
1,029.51
mp-600177
9.615528
3.118464
-4.248499
other
K4H52C4Br4N4O28
96
14
1,205.38
mp-699914
7.012672
3.088378
-3.836238
other
Mn8P4C44S4O32F36
128
14
1,994.96
mp-1203520
8.518111
1.668735
-4.58812
other
Fe4H48C20N4Cl8O20
104
14
1,365.86
mp-1181798
8.677206
2.290707
-0.980565
other
K4Na4Ti4H8O12F16
48
14
723.55
mp-558954
9.311267
1.172898
1.451925
other
Na8Sr8Al8P4O16F36
80
14
1,019.72
mp-1210579
12.780964
6.141979
-0.82744
other
Na8Ca4Zr4Si8O28F8
60
14
795.8
mp-1196828
13.273602
5.712189
-6.916468
other
Na4Li4Mg4P4O16F4
36
14
397.69
mp-1201772
8.246279
1.038362
-4.405825
other
Mo4H48C16S8Br8O16
100
14
1,482.57
mp-1199579
8.294943
1.691277
-4.464967
other
Bi4H56C16S32N20O4
132
14
2,008.85
mp-720279
10.33074
3.67877
-4.618069
other
Na8H40Ru2S8N4O36
98
14
1,030.27
mp-1196098
8.778216
1.692855
-4.538257
other
Gd4H88C28N4Cl8O36
168
14
1,666.14
mp-504807
8.98478
2.343569
-4.754057
other
Mg2P4H40C8N16O24
94
14
874.12
mp-24308
8.125297
0.420186
-4.43745
other
Al4Si4H36C12Cl8O4
68
14
1,011.91
mp-699466
8.696602
2.166989
-4.740666
other
Zn4P4H28C8N16O20
80
14
760.18
mp-1204839
8.251142
2.425184
-4.573159
other
H24C12S12N4Cl12O20
84
14
1,340.93
mp-542130
12.885127
5.308705
-6.069141
other
Rb4Al4B4P8H4O36
60
14
738.79
mp-601227
7.822904
1.118994
-4.60514
other
H48W12C16S8Cl36O8
128
14
2,566.38
mp-1204475
5.165312
2.161326
-3.691916
other
Rb4Cu8H8C12N12O4
48
14
793.89
mp-1210430
12.228398
6.672803
-1.677253
other
Na8Zr4Fe4Si8O32F4
60
14
738.46
mp-728733
8.480547
1.964492
-4.560909
other
Co2H36C8N16Cl8O8
78
14
840.78
mp-735783
10.69973
7.676987
-6.870447
other
Ba4Na4Fe16P24H12O100
160
14
1,973.97
mp-1198285
11.510926
4.148674
-5.241253
other
Cu6P8H16N4O24F8
66
14
711.27
mp-1199704
11.602893
4.396076
-5.061984
other
Na4Pr4P8H16C4O28
64
14
743.97
mp-707720
8.441597
2.032519
-4.466616
other
Mg2H80C20Br4N40O20
166
14
1,706.25
mp-1204541
8.762374
2.422401
-4.929412
other
Co4P4H32C12N12O28
92
14
1,026.56
mp-1198425
11.742975
4.437846
-5.242259
other
Ga4B4P8H20N4O36
76
14
765.03
mp-556567
8.889807
2.244722
-4.59554
other
Ba4H64C16S16N8O40
148
14
1,590.42
mp-600228
8.067675
1.762662
-4.67072
other
H32Ru4C20N4Cl12O12
84
14
1,212.4
mp-561754
5.309582
3.176541
-4.437073
other
K4Ga4Co4C16Cl12O16
56
14
1,273.54
mp-736581
10.996145
3.773744
-4.893076
other
Zn16P12H40C8N4O52
132
14
1,457.17
mp-1212205
6.394826
5.49453
-4.459754
other
K4Co4H8C4N16O28
64
14
1,095.64
mp-709069
11.600893
4.432286
-5.369686
other
Ti8P16H36C8N4O64
136
14
1,424.87
mp-1202313
8.348717
2.393131
-4.695581
other
Ni2H28C4N20Cl4O12
70
14
746.55
mp-1201834
9.277383
1.564872
-4.037667
other
Co4B4H72N24Cl8F16
128
14
1,213.34
mp-1203951
8.526932
1.260616
-4.383253
other
Mo8H72C24N4Cl4O28
140
14
1,646.26
mp-569292
8.092642
0.94811
-4.643308
other
Zr4Cu4H32C8N4Cl24
76
14
1,245.46
mp-1198805
7.531879
1.599551
-4.297553
other
Fe2H24C16S4N12O4
62
14
749.2
mp-1203018
2.017734
2.00444
1.718936
other
Sr8Li4Ta4Al4N16O2
38
14
579.02
mp-557538
12.616889
6.385159
-0.338173
other
Na4Gd4Mg2Si8O24F4
46
14
575.64
mp-708184
8.797941
1.999584
-4.370842
other
H40C20S8N8O16F24
116
14
1,368.68
mp-555975
8.167619
0.945885
-4.46197
other
Na4H48C16S8Br4O8
88
14
1,114.73
mp-774223
5.887806
3.002343
-4.704164
other
K16H16Os8C8Cl40O16
104
14
2,214.24
mp-720266
9.144092
3.528224
-4.543615
other
Re8H24Pb4C4N8O40
88
14
1,138.7
mp-1213279
8.052112
1.818588
-4.59737
other
H20Pb4C8S4N24Cl4
64
14
847.05
mp-1198552
8.131126
0.67957
-4.40671
other
Ta8H144C48N24Cl8O4
236
14
2,522.11