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-734836
7.623171
1.952535
-4.22808
other
Zn2H24C12S4N20O4
66
15
798.8
mp-1212649
8.449671
7.169693
-4.730837
other
K8Tm2P16H36N16O32
110
15
2,049.95
mp-1100919
10.360851
3.278823
-4.554918
other
V4P8H52C4N12O44
124
15
1,190.03
mp-1199046
12.185486
6.027432
-6.347533
other
Ca2Fe2B2P4H4O20
34
15
356.66
mp-1200042
11.892042
6.319366
-6.386888
other
Mn2Ga4P6H8N2O28
50
15
588.75
mp-735584
4.608717
2.495526
-3.524693
other
Rb8Fe4H8C20N24O8
72
15
1,233.28
mp-510020
12.602615
5.657562
-5.586235
other
Na2V2B2P4H6O20
36
15
368.6
mp-746355
8.617533
1.245107
-4.655528
other
Fe2P6H36C12S12O12
80
15
1,088.69
mp-1203356
7.352132
2.841272
-3.405969
other
H4C8S4Cl4O4F8
32
15
598.77
mp-1201966
9.42463
2.093025
-4.471479
other
Zn6P8H40C8N4O24
90
15
1,066.85
mp-23872
10.170889
2.133471
-1.914998
other
Ca6Al4H12S2O16F16
56
15
619.11
mp-723065
8.45953
3.511446
-3.905073
other
H4C4S6N4O12F12
42
15
549.12
mp-23811
12.375704
5.249144
-5.656638
other
Ca2Ni2B2P4H6O20
36
15
363.94
mp-1196356
8.33942
2.143832
-4.54854
other
Ni2H48C12S12N28O12
114
15
1,431.45
mp-729824
7.677419
1.581185
-4.322442
other
Mn6Mo4H68C44N32O10
164
15
2,033.09
mp-1201326
7.762318
0.127985
-4.508036
other
Si8Te4H88Pt2C32Cl4
138
15
1,815.13
mp-1198497
8.847848
2.187511
-4.610431
other
Na8H64C16S16N8O40
152
15
1,732.28
mp-1203519
12.934216
5.611988
-5.869834
other
K2Mn2Ga4P6H8O28
50
15
600.09
mp-707467
9.060709
2.743391
-4.797044
other
Th4H80C16S8N32O60
200
15
2,158.46
mp-1200588
9.136618
1.795459
-4.479719
other
Zn6P8H48C12N4O24
102
15
1,149.22
mp-1173812
12.874014
6.512917
-0.560587
other
Na6Mg8Sc2Si16O44F4
80
15
944.62
mp-505478
12.040351
5.534174
-5.937636
other
Na2Fe2B2P4H6O20
36
15
364.88
mp-735424
5.011813
3.142399
-4.043353
other
Ru4C14S20N20Cl16O12
86
15
1,880.04
mp-722997
9.707022
1.394522
0.084838
other
Na4Ca4Al4H8O4F24
48
15
516.22
mp-706336
12.692087
6.043748
-1.330083
other
Na8Be4Si12Sn2H8O40
74
15
844.75
mp-1210426
10.368418
7.331131
-1.92765
other
Na8Ca8Ti8Si8O44F6
82
15
1,070.25
mp-24646
12.412611
5.01293
-5.597887
other
Na2Al2B2P4H6O20
36
15
346.67
mp-1197280
12.531206
5.588554
-5.929751
other
K2Ga4Ni2P6H8O28
50
15
587.15
mp-1195326
8.295643
1.964986
-4.181214
other
H12C4S4N4O4F8
36
15
559.21
mp-1202078
7.897289
0.272191
-4.488015
other
Si24Bi4H216C72N16Cl4
336
15
3,990.07
mp-1195661
14.302041
7.397263
-5.935863
other
Rb2Na4Fe6P8Cl2O28
50
15
676.5
mp-24145
9.904223
2.77763
-4.579155
other
Cu2P4H16C2N4O10
38
15
387.69
mp-1199672
12.372014
5.0647
-5.618997
other
Na2Ga2B2P4H6O20
36
15
360.04
mp-1201258
10.028128
3.198407
-4.27462
other
Na4Ca2P4H32S12O16
70
15
896.18
mp-1201642
10.536255
3.661147
-5.025043
other
Be12As12H36C20N4O52
136
15
1,491.6
mp-1199368
8.407505
2.791491
-4.835121
other
Zn2H20C4S4N16O12
58
15
644.75
mp-707985
12.399652
5.418185
-5.683684
other
K6Na6Te2P12H12O48
86
15
1,053.84
mp-1190513
8.968239
1.742677
-4.519997
other
Fe4H20C4N4Cl8O8
48
15
620.31
mp-1173842
11.408308
7.69519
-7.649992
other
Na2Ca2Mg6Fe12P18O72
112
15
1,322.16
mp-540575
8.464488
3.778353
-4.847657
other
Zn2Hg4H28C8N12O26
80
15
978.55
mp-640564
5.595903
3.082449
-3.620507
other
Ag2Sb2C12N8O4F12
40
15
661.51
mp-720904
7.774623
2.507073
-4.538942
other
Ba2H16Pt2C8N8O8
44
15
551.81
mp-721813
10.176223
3.492779
-4.568664
other
Al3H54C3S6N9O42
117
157
1,099.84
mp-1201229
8.448691
3.683304
-3.545512
other
Si4H8C4S4O12F12
44
14
714.81
mp-697278
9.69416
1.400932
0.124719
other
Na4Ca4Al4H8O4F24
48
14
514.65
mp-1197360
8.676865
3.782064
-6.720805
other
Na4Mn6P4H4C16O36
70
14
960.4
mp-556622
8.556364
1.822769
-0.105285
other
Tl16Os8C8Br16O8F24
80
14
1,953.13
mp-1200046
14.165705
7.56275
-6.528071
other
Li12V8B4P16H8O68
116
14
1,260.74
mp-1195968
13.352769
6.497023
-6.327832
other
Cs4Al4V4P8H8O40
68
14
926.63
mp-558888
6.586671
3.494683
-3.602893
other
P4S8N12Cl8O8F8
48
14
940.05
mp-1198748
9.074523
1.754338
-4.199841
other
Co4H72Br8N24Cl4O12
124
14
1,267.13
mp-1204384
7.914557
3.62082
-4.105295
other
Ag4H40S32N32Cl4O24
136
14
2,031.94
mp-1198181
8.364017
2.411107
-4.707149
other
Zn2H28C4N20Cl4O12
70
14
756.84
mp-1181454
5.941675
3.291443
-4.671269
other
K8Tc4C8S16N4O16
56
14
1,202.89
mp-1197191
11.369256
3.668279
-4.777475
other
Mn4P4H16N4O12F12
52
14
546.12
mp-1198815
6.961852
0.299289
-3.78842
other
B64P16H144Ir8C64Cl8
304
14
4,384.33
mp-1196081
9.271944
3.213804
-5.305958
other
Li4B4H16C8O24F8
64
14
689.53
mp-1199239
9.960085
2.672472
-4.658419
other
Cu4P8H28C8N4O24
76
14
756.07
mp-1199113
10.66039
6.217412
-5.416893
other
Na4Tb4P8H8C4O28
56
14
678.86
mp-24179
8.754348
2.033707
-4.598848
other
K4H24C8S8N4O16
64
14
780.87
mp-705524
8.445742
2.317222
-4.70358
other
Cu4H28C12S4N12O16
76
14
956.5
mp-699253
8.399567
3.266043
-4.051191
other
K8H8C12S8O28F24
88
14
1,190.89
mp-24830
7.945803
0.313202
-4.460787
other
Si4P12H116C40Br4N4
180
14
2,030.09
mp-773893
7.908977
0.384698
-4.527426
other
Sn2Sb4H48C16S4Cl4
78
14
1,018.91
mp-1200184
8.240537
3.633646
-4.659546
other
Zn2H28C4N20Cl4O28
86
14
901.41
mp-1198838
8.324322
1.343837
-4.591784
other
Cu4H36C12N4Cl8O8
72
14
896.41
mp-1197780
12.8877
5.495191
-5.844454
other
K4Mn4B4P8H8O36
64
14
779.6
mp-1199285
8.334121
4.8182
-5.619171
other
Er4H8C8S4N4O36
64
14
805.01
mp-1194856
8.454233
1.363161
-4.407598
other
P12H84C36S8O24F24
188
14
2,267.9
mp-1198811
4.895153
3.179429
-3.795724
other
Ca4Hg4C16S16N16O12
68
14
1,677.84
mp-1204018
8.041888
1.450485
-4.456594
other
Zn4H32C8S8I8N16
76
14
1,362.26
mp-1199679
9.731741
2.336011
-2.167492
other
K4Zr4Ni2H24O12F24
70
14
805.92
mp-849790
8.777663
1.202271
-4.335215
other
Si4H84C24N8O4F20
144
14
1,199.65
mp-1212621
7.978369
2.500919
-3.500826
other
H8C12N4Cl4O4F16
48
14
694.67
mp-1199188
7.866445
0.210573
-4.514397
other
Ti8Si28H168C56Cl24O8
292
14
4,111.82
mp-1199480
9.310532
3.715265
-6.450565
other
K4Tb4H8C8S4O36
64
14
782.78
mp-1202408
10.403038
3.076268
-4.499266
other
Mg4P12H64C12N4O48
144
14
1,359.69
mp-1201006
8.166469
0.747836
-4.381515
other
P8H72W4C24Cl8O16
132
14
1,732.77
mp-1199501
10.402253
4.315156
-5.609137
other
Na24Mn2Cu4H32S16O64
142
14
1,697.82
mp-559027
8.736444
2.07024
-4.630709
other
Sr4H48C16S16N8O32
124
14
1,441.43
mp-1200723
9.708821
2.918412
-4.614669
other
Fe2H48C4S4N12O28
98
14
940.99
mp-601228
8.388998
4.201544
-3.899449
other
Na4H8C4S4O16F12
48
14
771.12
mp-1200711
8.369952
1.486134
-4.577935
other
Sb8H32C12S4Cl24O20
100
14
1,834.71
mp-721235
8.750454
1.417154
-4.469274
other
V4H96C32S8N8O36
184
14
1,814.48
mp-1198154
6.969553
0.418839
-3.615049
other
B88H144C32S16N8Cl8
296
14
3,370.93
mp-1196158
10.314795
3.029788
-4.512333
other
Cu4P12H64C12N4O48
144
14
1,344.19
mp-1205082
9.673486
3.518823
-5.495254
other
Sm4H24C8S4N4O36
80
14
828.25
mp-722501
4.965498
3.078212
-4.028564
other
Sn4H12S16N16Cl20O4
72
14
1,527.33
mp-1212322
9.29502
3.784618
-6.383328
other
K4Gd4H8C8S4O36
64
14
802.83
mp-1215091
12.216053
5.734334
-2.124331
other
Ca4Al4Si12Sn2H12O44
78
14
952
mp-1214998
8.454514
2.045907
-4.483658
other
Co2H80C20Br4N40O20
166
14
1,702.73
mp-558845
8.879717
1.768092
-4.514889
other
P4H40C12N8O16F4
84
14
852.63
mp-1201408
12.972715
5.373212
-6.189243
other
Cs4Ga4B4P8H4O36
60
14
796.37
mp-720554
10.892551
3.202318
-4.654289
other
Li4P4H16N4O12F4
44
14
407.12
mp-1203484
8.142627
2.420321
-4.581177
other
Na4H16C4S8N12O8
52
14
723.86
mp-1199733
6.987799
6.578536
-4.017742
other
Ir4C4S4N24Cl8O32
76
14
1,388.41
mp-1199686
8.002127
0.419022
-4.425767
other
Mo4P16H152C52N16Cl16
256
14
3,602.9
mp-1198517
8.804816
3.395221
-4.11237
other
Hg16H36C16S12O56F36
172
14
2,523.81
mp-696200
9.103321
2.353054
-4.556192
other
Cu4H80C8S12N32O32
168
14
1,630.25
mp-1215066
8.066279
1.802089
-4.530667
other
Cd10H36C16N40Cl8O4
114
14
1,383.9