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-697981
9.516747
4.321572
-6.165676
other
Cd12H8C4Se4O32
60
62
753.4
mp-1043346
12.127068
7.124823
-6.899364
other
Zn4Ni4Sn4P8O36
56
62
718.11
mp-722270
9.135988
1.955569
-3.844865
other
Zr4H28C4N16F20
72
62
777.94
mp-624218
4.052171
2.918265
-4.255786
other
P12S4N16Cl20O4
56
62
1,301.94
mp-1200779
12.299846
6.146299
-6.437447
other
Na8Ni4P8H8O24
52
62
609.38
mp-1212298
2.843424
2.976054
-3.951853
other
Pd4Ru4Br16N20Cl4
48
62
1,467.41
mp-1202582
6.115493
5.304631
-4.027043
other
Mo4Rh4N20Cl4O16
48
62
852.29
mp-1329345
13.919216
8.515734
-5.357208
other
Zn4Ni4P8W4O36
56
62
721.35
mp-1197978
9.210006
3.003184
-4.109146
other
K16Bi8H32Cl40O16
112
62
2,382.33
mp-707782
9.053945
2.552048
-1.705695
other
K24Zr12H32O48F48
164
62
2,272.51
mp-557702
-0.874884
2.591456
-3.054675
other
K8Ru4I20N4O4
40
62
1,437.58
mp-1179562
11.721114
6.072884
-5.531243
other
V8Ni4P8H24O52
96
62
975.42
mp-1229308
9.621309
6.674399
-3.71675
other
Cs4In12H24Se24O80
144
62
2,233.57
mp-1196078
8.372376
0.839209
-4.362126
other
P4H72C24N4F16
120
62
1,306.83
mp-1198427
3.765296
3.533515
-3.893814
other
Ru4S4N16Cl8O8
40
62
1,173.76
mp-1043482
11.517998
7.931328
-7.321075
other
Zn4Cr4Ni4P8O36
56
62
654.57
mp-1043107
13.698888
8.653818
-5.510684
other
Zn4Ni4Mo4P8O36
56
62
703.28
mp-704417
11.494926
8.885392
0.507837
other
Rb28U32V8Cl4O128
200
62
3,718.23
mp-654897
8.72759
2.115043
-4.708464
other
Mn4H36C16N4O24
84
62
881.42
mp-1201072
14.134903
7.301491
-5.548728
other
Na8Fe4P8H8O24
52
62
638.69
mp-1199258
3.583378
1.196704
0.881258
other
Ba20Li4Ga4N12F20
60
62
1,116.92
mp-1195688
13.344556
4.865808
-1.74055
other
Ba12Zn8B12O36F4
72
62
1,066.71
mp-1195055
13.78798
5.352582
-2.300299
other
Rb4Li24B8O24F4
64
62
719.62
mp-1194211
7.105812
2.110762
-4.319508
other
Cu4H8C4N8Cl4
28
62
578.51
mp-1043215
12.320287
6.996403
-6.93099
other
Mg4Ni4Sn4P8O36
56
62
710.17
mp-1181336
10.683723
3.106058
-4.542445
other
Fe4P4H24N8O16
56
62
508.61
mp-505288
12.64516
5.710049
-1.989458
other
Ca4Al8Si8H16O40
76
62
694.67
mp-1210669
12.836073
6.182224
-0.641288
other
Mg4Al12Si4B4O36
60
62
673.8
mp-556385
-0.168694
2.974998
-3.77063
other
Cs12Zn4I16N4O12
48
62
1,796.86
mp-640765
4.32571
2.564456
-3.466765
other
Fe4Pb4C20N24O4
56
62
990.73
mp-1333330
11.541588
7.841983
-7.510919
other
Mg4Cr4Ni4P8O36
56
62
654.86
mp-1202966
8.629247
2.119991
-1.204491
other
Cu4As8H12O4F52
80
62
1,099.69
mp-504966
8.164477
10.066089
1.815567
other
Ba8Y8Cu4Pt4O32
56
62
803.93
mp-995203
8.066291
0.731439
-4.360888
other
H24Pb4C4I12N4
48
62
1,024.21
mp-703461
9.968938
2.195625
-3.724944
other
Ge4H32N8O4F24
72
62
630.54
mp-555770
10.245967
3.190328
-4.941628
other
Rb4H16S4N4O16
44
62
490.64
mp-1043031
13.300172
6.886265
-7.012108
other
Mg4Ti4Ni4P8O36
56
62
658.06
mp-556310
5.516184
4.350036
-4.589979
other
Li4Al4S12Cl16O24
60
62
1,370.03
mp-758527
12.715767
6.07336
-0.977776
other
K12Er4Si12H8O40
76
62
1,080.4
mp-648833
-0.415613
1.274822
-4.470551
other
K8Ir4C4Br20O4
40
62
1,214.76
mp-1198008
12.710413
5.250278
-2.622361
other
Ca4V4Si16H32O60
116
62
1,346.89
mp-759928
12.693101
6.080175
-0.965362
other
K12Tb4Si12H8O40
76
62
1,048.87
mp-1195165
11.271462
7.357238
-4.482766
other
Cd4Cu4As4H4O20
36
62
416.73
mp-995214
8.099871
0.699097
-4.412438
other
H24Pb4C4I12N4
48
62
1,026.12
mp-1214783
8.222769
10.022235
1.834345
other
Ba8Ho8Cu4Pt4O32
56
62
799.03
mp-561006
13.567451
7.469374
-6.92425
other
Na8Ca4V4P8O36
60
62
723.38
mp-850868
9.940518
2.15206
-3.738666
other
Nb4H32N8O8F20
72
62
664.82
mp-1182411
8.518129
7.1835
-3.999088
other
Ca8Y8Si8C4O64
92
62
1,323.9
mp-758378
10.100929
4.472685
-4.347875
other
V8Ni4H24N8O24
68
62
774.52
mp-758551
12.541311
6.147302
-1.225485
other
K12Eu4Si12H8O40
76
62
1,130.77
mp-24216
11.147398
7.408171
-3.931262
other
Zn4Hg4As4H4O20
36
62
440.9
mp-556001
12.926283
6.128609
-0.83963
other
Na8Be8Si24H8O64
112
62
1,317.34
mp-1043491
9.685705
7.958302
-6.286679
other
Zn4Cu4Ni4P8O36
56
62
632.71
mp-757573
11.559957
11.875119
-2.926422
other
Mn4V4H4Pb4O20
36
62
443.74
mp-1214049
0.72274
1.886677
-1.657554
other
Ca12B4C4Br8N4
32
62
652.93
mp-1202336
6.430947
4.423683
-4.428327
other
Co4C4Br4N16O12
40
62
646.45
mp-1043481
10.686851
7.644114
-6.722721
other
Mg4Ni4Bi4P8O36
56
62
728.6
mp-559879
3.887922
3.298077
-4.40035
other
P4S8N4Cl24O16
56
62
1,299.13
mp-1204862
-3.549809
-2.321524
-5.341163
other
Ba16Ga8Fe4S24F16
68
62
1,519.95
mp-1205204
11.564127
4.829134
-5.0257
other
Zn8Ni4P8H32O48
100
62
1,016.5
mp-505289
10.571162
11.783243
-3.379168
other
V4Cu4H4Pb4O20
36
62
448.67
mp-759391
8.741531
1.356314
-4.180897
other
Co8H84I28N24O12
156
62
2,481.02
mp-505772
9.220444
3.536452
-6.083867
other
Rb8Na4H20C8O32
72
62
953.88
mp-1197133
9.869316
1.87034
-2.920827
other
Li8Be8H16N4F28
64
62
651.15
mp-23915
12.645505
6.580172
-0.556259
other
Ca8Al12Si12H4O52
88
62
928.85
mp-1173163
10.89682
12.522819
1.967088
other
Sr4Li4Ti16Cr4O44
72
62
819.82
mp-1214674
8.279443
10.034358
1.905132
other
Ba8Tm8Cu4Pt4O32
56
62
784.93
mp-1199902
3.066771
3.015469
-4.05982
other
Re4Pt4N20Cl32O4
64
62
1,781.93
mp-1196025
12.617596
6.531759
-0.277723
other
Rb12Sc8Si16O40F20
96
62
1,533.57
mp-764629
10.724772
12.113665
-3.686768
other
Rb12Na4V16H8O52
92
62
1,550.32
mp-1209552
0.04687
1.138558
-5.064781
other
Rb8Fe4H8Br20O4
44
62
1,182.57
mp-1195300
10.432325
12.135309
-3.741914
other
Ba8V8Cu4Cl4O32
56
62
908.93
mp-1202278
8.295612
0.706441
-4.53484
other
Cu8H48C16Br12N4
88
62
1,183.21
mp-1195120
11.25802
3.628636
-4.751738
other
Mn4P4H24N4O20
56
62
513.47
mp-505364
11.06976
3.497551
-4.72372
other
Cd4P4H24N4O20
56
62
537.96
mp-732337
8.327985
0.887947
-4.414748
other
H24Pb4C4Br12N4
48
62
855.18
mp-1195936
2.799735
3.212922
-4.325584
other
K4Ir4N4Cl20O8
40
62
1,034.3
mp-759242
8.82249
1.405221
-4.138354
other
In4H40N8Cl20O4
76
62
1,044.09
mp-649453
1.311857
1.814397
-1.382958
other
Ca12B4C4N4Cl8
32
62
601.63
mp-1211967
12.135813
6.563445
0.318101
other
K4Sr24Sc4Si16O64
112
62
1,580.97
mp-1208707
10.353138
13.031501
1.049726
other
Sr4Li4Ti12Cr8O44
72
62
804.62
mp-1197086
7.932276
0.287344
-4.521941
other
Al4P8H72C24Cl12
120
62
1,686.42
mp-18376
5.059132
2.950958
-3.7379
other
K4Hg4C12N12O12
44
62
777.82
mp-555813
8.198261
1.805464
-4.581089
other
H48Rh4C32N4O24
112
62
1,291.23
mp-1196088
-0.307112
2.992646
-3.708265
other
Cs12Co4I16N4O12
48
62
1,690.19
mp-1043542
14.193008
8.344518
-5.050982
other
Ca4Ni4P8W4O36
56
62
731.48
mp-1214108
7.180605
7.304461
-4.001091
other
Co4Cu4Se8Cl8O40
64
62
1,103.02
mp-706995
8.697123
1.188315
-4.148479
other
Zn4Co4H72N24Cl20
124
62
1,405.93
mp-1197862
11.335088
6.855714
-1.448286
other
Ca8Y8Si16C4O64
100
62
1,295.17
mp-1043109
10.129174
8.039381
-6.713718
other
Zn4Fe4Ni4P8O36
56
62
654.05
mp-1199944
8.008728
0.565712
-4.374232
other
B4As4H52C12N4
76
62
925.83
mp-554568
8.445584
0.951706
-4.465775
other
H40C12N4Cl4O4
64
62
610.1
mp-706921
2.911023
3.091749
-3.989737
other
H8Rh4N8Cl20O4
44
62
933.96
mp-728934
8.747152
2.137918
-4.681852
other
Co4H36C16N4O24
84
62
819.7
mp-1205118
8.396482
0.874001
-4.267855
other
Mo4H48C8S16N8
84
62
1,117.14
mp-776064
15.14382
8.575055
-4.581377
other
Li16V8P8O32F8
72
62
781.99
mp-556047
-0.426582
1.257727
-4.517426
other
K8Os4C4Br20O4
40
62
1,212.09
mp-572778
10.192931
9.385255
-2.075808
other
Cu12Bi4Te8Cl4O32
60
62
939.44
mp-1182316
8.767143
2.716364
-4.949221
other
Cu4H36C16N4O24
84
62
985.06
mp-766498
8.281475
4.174188
-7.424226
other
Li4Mn4C4O12F8
32
62
369.69