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-1204493
13.538274
5.316916
-6.26653
other
Na2Sr6Gd2P6O24F2
42
147
585.71
mp-1196633
8.491377
1.459332
-4.450968
other
Hg1H36C14S8O12F6
77
147
957.03
mp-849796
10.716772
3.95459
-4.271791
other
Na2Zn8H36S2Cl2O32
82
147
819.71
mp-1179994
9.217778
2.746944
-4.550959
other
Na6H36C6S6N6O18
78
148
930.75
mp-23830
8.261189
0.94539
-4.4367
other
Cr1H36C12S6Cl3O6
64
148
730.94
mp-1199991
9.485249
2.842666
-4.503438
other
Na6H36C6S6N6O18
78
148
895.56
mp-24280
8.200728
0.911982
-4.459529
other
Ga1H36C12S6I3O6
64
148
860.87
mp-773025
8.604113
2.184121
-4.484643
other
H48Pt1W6C8N24O24
111
148
1,108.45
mp-559113
9.246382
2.667576
-4.663562
other
Sc2H48C6S6N18O30
110
148
1,075.88
mp-24680
9.230275
2.763981
-4.267488
other
Rb1H18Ru1N6Cl4O8
38
148
425.89
mp-24110
9.22257
2.73097
-4.261786
other
Cs1H18Ru1N6Cl4O8
38
148
445.19
mp-729027
11.173885
4.252543
-4.278492
other
Na1Mn6Al3H42S2O38
92
148
881.81
mp-1178630
8.316395
1.086542
-4.494514
other
Zr6B1H42C12I13O12
86
148
1,441.54
mp-600224
10.514418
5.507174
-4.345019
other
Mo24P2H48C12N6O80
172
148
2,077.32
mp-24764
8.29499
0.958179
-4.445058
other
Al1H36C12S6Cl3O6
64
148
726.37
mp-24681
9.328899
2.70756
-4.279867
other
Cs1Cr1H18N6Cl4O8
38
148
445.57
mp-24279
8.237052
0.909871
-4.470145
other
Al1H36C12S6I3O6
64
148
860.17
mp-735563
9.31234
2.826151
-4.279834
other
Cs1Co1H18N6Cl4O8
38
148
414.65
mp-766473
8.158736
0.888627
-4.43352
other
Ni1H36C12S6I4O6
65
148
854.47
mp-1196729
10.026379
4.104932
-4.270152
other
P2H60W24C18N6O80
190
148
2,468.82
mp-1228969
4.70583
1.933142
-2.316854
other
Ba16Ca2H1C12N25O4
60
148
1,099.3
mp-1182632
8.221828
0.922274
-4.430617
other
Fe1H36C12S6Br3O6
64
148
806.53
mp-744721
7.856142
3.882847
-4.814462
other
Cr2Co6H48C12N60O66
194
148
2,449.96
mp-558263
8.151778
1.366079
-4.497076
other
Y2H48C18N12Cl6O6
92
148
1,056.42
mp-24281
8.183631
0.895621
-4.458688
other
In1H36C12S6I3O6
64
148
855.64
mp-24100
9.352023
2.793989
-4.294404
other
K1Cr1H18N6Cl4O8
38
148
410.27
mp-541901
9.283214
2.736341
-4.271196
other
K1H18Os1N6Cl4O8
38
148
414.13
mp-534775
13.573913
6.936591
-7.373638
other
Li2Ti6Mn2Cr2P12O48
72
155
904.67
mp-1224736
11.575882
4.513486
-4.847129
other
Mg3Ni3B6P6H36O48
102
155
933.7
mp-1200993
8.382115
1.471911
-4.434224
other
Mo2H28C12N4O8F4
58
15
593.96
mp-1229322
8.446069
4.037725
-6.138266
other
Ba4Co4H8C12Cl4O32
64
15
908.8
mp-1198359
8.926812
2.288372
-4.461212
other
Sn4H72W12C16N24O48
176
15
2,095.42
mp-1204808
11.614248
4.54306
-4.849352
other
Na4Li4Ni2P12H48O60
130
15
1,310.23
mp-1200274
10.037221
3.243462
-4.285969
other
Na4Sr2P4H32S12O16
70
15
925.42
mp-1205153
8.052455
0.920406
-4.480058
other
In4Sb4H32C8Se14N4
66
15
1,185.73
mp-1204881
12.989529
5.576794
-5.897718
other
Cs2Mn2Ga4P6H8O28
50
15
614.51
mp-1215051
8.311464
2.672465
-4.938056
other
Ba4H28C24S8N8O30
102
15
1,249.9
mp-1199989
10.374705
4.500731
-6.398509
other
K6Na2Np8H8S8O52
84
15
1,208.4
mp-1204868
13.655604
6.87863
-6.599311
other
Na2Ca2Mn4P6H4O24
42
15
488.93
mp-1197759
8.296074
0.787752
-4.413298
other
Cu8As16H48C16I8O16
112
15
1,871.57
mp-1106075
3.943661
3.027549
-3.640799
other
K2Au2C4N4Cl4O2
18
15
432.34
mp-720842
7.790267
2.440492
-4.501978
other
Ba2H16Pt2C8N8O8
44
15
548.69
mp-1204019
7.783213
1.978319
-4.516171
other
Nd2Ag2H20C40N12O16
92
15
1,058.5
mp-1196463
8.36711
1.906224
-4.52976
other
Ag4H48C16S8N20O12
108
15
1,259.68
mp-1198235
8.66005
3.621841
-3.811171
other
Tl4H24C12S12O48F36
136
15
1,875.99
mp-1173822
12.771794
6.56725
-0.810765
other
Na6Mg8Cr2Si16O44F4
80
15
926.59
mp-1200140
7.781851
0.139989
-4.503366
other
Si8Te4H88Pd2C32Cl4
138
15
1,790.3
mp-1210892
12.462667
4.887502
-5.41996
other
Na2Mg2Al10P8H20O48
90
15
812.96
mp-1238646
11.91191
5.322682
-5.216406
other
Na2Ga2B2P4H6O20
36
15
448.59
mp-1194649
13.994306
6.934199
-6.796391
other
Rb2Na4Mn6P8Cl2O28
50
15
696.1
mp-720723
12.666395
5.312344
-5.844381
other
K2Al4Ni2P6H8O28
50
15
561.78
mp-1226380
8.41267
0.847215
-4.57885
other
Hg4As12H48C16S24N4
108
15
1,888.74
mp-573066
8.119762
3.459845
-3.581529
other
Cs4C8S8N4O16F24
64
15
1,133.14
mp-1199657
8.292748
1.125664
-4.443532
other
Ta12H80C16Br32N4O16
160
15
2,412.38
mp-1190493
8.884708
1.884219
-4.498678
other
Ni4H20C4N4Cl8O8
48
15
591.08
mp-709723
9.626656
2.128002
-4.499382
other
Al8P12H68C16N8O48
160
15
1,691.27
mp-727111
8.869423
1.380139
-4.282476
other
Mn2H32C8N2O4F8
56
15
491.42
mp-1194719
14.258858
7.366035
-5.955544
other
Cs2Na4Fe6P8Cl2O28
50
15
688.01
mp-1195634
13.985166
6.888785
-6.798953
other
Cs2Na4Mn6P8Cl2O28
50
15
715.38
mp-1197042
8.517681
2.216015
-4.716082
other
Na2P2H12C4N8O8
36
15
385.27
mp-1226982
7.110711
0.249895
-3.823904
other
Fe2B36H84C16S4N4
146
15
1,442.74
mp-1201870
8.119873
1.04906
-4.47379
other
Be2H96C40I12N16O8
174
15
2,235.44
mp-1199708
7.791358
1.975531
-4.527367
other
Tb2Ag2H20C40N12O16
92
15
1,031.52
mp-534778
12.75042
6.431934
-0.55356
other
Na2Ca4Sc2Zn4Si12O36
60
15
696.75
mp-680067
6.60111
5.673347
-3.993008
other
Ag8C4S4N4Cl4O16
40
15
641.28
mp-738695
8.612644
1.349148
-4.296143
other
H48Os4C16N4O12F12
96
15
953.69
mp-1210571
10.312073
7.258969
-6.155279
other
Na4Cd6P8N2Cl2O28
50
15
733.17
mp-766269
8.266996
1.948378
-4.54206
other
Zn4P4H20C8N16O12
64
15
759.33
mp-1202117
12.409208
5.635477
-5.956185
other
Li2Cu4B2P4H4O20
36
15
368.1
mp-766411
8.057911
1.728673
-4.414979
other
H32Pd2C8S8N16Cl4
70
15
873.19
mp-709921
12.79097
6.140422
-0.941909
other
Cs4Na8Cu4Si24H8O62
110
15
1,567.93
mp-698364
8.564073
1.206693
-4.641941
other
P6H36Ru2C12S12O12
80
15
1,067.01
mp-1197175
12.301883
6.681473
-0.833227
other
K2Li6Ca14Ti4Si24O76
126
15
1,648.4
mp-726558
8.706563
1.214281
-4.390049
other
Mn4H48C8N4Cl12O8
84
15
985.93
mp-698354
8.577621
1.230785
-4.663748
other
P6H36Os2C12S12O12
80
15
1,067.89
mp-1204176
8.237328
0.871219
-4.502907
other
In4Sb4H32C8S14N4
66
15
1,044.52
mp-1197935
4.795994
2.799916
-3.78551
other
As16H4C2S20N40Cl4
86
15
1,740.73
mp-1205264
11.818723
6.310588
-6.792867
other
Na28Mn20P12H24O60F52
196
15
2,338.62
mp-23783
11.964809
4.782465
-5.344181
other
Ga4Ni2P6H16N2O28
58
15
566.59
mp-1197676
8.395514
2.534
-4.882254
other
Na4H24C16S4N12O20
80
15
976.66
mp-1205129
12.701037
5.918779
-1.554388
other
Na6Li2Ti4Si8H8O32
60
15
661.33
mp-743619
8.546337
2.852439
-4.709761
other
Co2H12C4S4N4O6
32
15
408.96
mp-757387
11.874709
5.151919
-5.587166
other
Na2Ni6P8H16N2O32
66
15
674.57
mp-722401
8.157071
1.12012
-4.512173
other
Zn2H32C12S4N8Cl4
62
15
729.64
mp-721712
8.891471
2.743582
-4.639181
other
Na4H16C4S4N4O8
40
15
510.5
mp-698125
8.502878
2.086557
-4.514448
other
Np2H32C8N16Cl2O12
72
15
758.22
mp-1210323
12.55763
4.941178
-5.344823
other
Na2Al10Fe2P8H20O48
90
15
822.4
mp-1213594
8.629702
2.183019
-4.622876
other
Gd2H36C8N12Cl6O16
80
15
922.36
mp-1202038
7.987853
0.784998
-4.468152
other
Tl2H24C8S4I6O4
48
15
983.99
mp-1199471
10.194585
5.0933
-4.207083
other
Ba2Na2Al2Mo12H52O68
138
15
1,563.37
mp-1196696
10.365243
4.380814
-6.490632
other
Na28U4H16S16Cl4O80
148
15
1,988.45
mp-728403
8.607803
1.216647
-4.663315
other
Cr2P6H36C12S12O12
80
15
1,078.34
mp-722353
9.112252
3.644988
-4.839325
other
U2H24C4S4N12O26
72
15
835.99
mp-1202532
8.087077
1.715213
-4.427136
other
Ni2H48C12S12Br4N24
102
15
1,329.94
mp-722272
8.791805
2.405984
-4.695578
other
Li4H24C6S2N12O14
62
15
614.49
mp-560484
7.917007
2.813295
-2.212589
other
V2P4C8N6Cl4F24
48
15
841.45
mp-1190433
8.940292
1.840769
-4.515984
other
Co4H20C4N4Cl8O8
48
15
608.27
mp-1200739
8.016174
1.690475
-4.420366
other
H16Au2C4S4N8Cl2
36
15
524.12
mp-720809
9.619062
3.567667
-4.493592
other
Co2Mo16H72C16N4O64
174
15
1,908.72
mp-740707
8.058731
1.686623
-4.425911
other
H16Au2C4S4Br2N8
36
15
501.57