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-1200839
7.927749
0.326567
-4.491337
other
Si2P4H36C12Cl8
62
14
805.76
mp-1214110
5.54912
3.87928
-4.085795
other
Cd4C16S16N40O24
100
14
1,896.25
mp-569847
8.322259
0.804702
-4.487753
other
Cd4H64C16Br16N8
108
14
1,575.79
mp-769602
10.708367
4.906028
-6.815861
other
Li8V4S4O16F12
44
14
561.53
mp-722378
11.475634
5.367473
-5.227627
other
Ca4Zn4P8H20O32
68
14
846.79
mp-2647158
6.530385
-0.039743
-3.675333
other
Ho4B12H72C8S4
100
14
994.09
mp-766465
9.313575
1.387437
-0.977307
other
Sr8Mn4C4O12F20
48
14
676.27
mp-23819
11.651331
4.10494
-4.933949
other
Al8P8H36N4O44
100
14
881.98
mp-1200336
8.602204
1.966809
-4.639236
other
H36C12S12N4O20
84
14
1,041.99
mp-1205017
10.212195
7.510274
-5.947345
other
K8U4Co4P8O44
68
14
1,096.94
mp-1197975
12.213322
4.994285
-5.330111
other
K4Tb4P8H16O36
68
14
864.05
mp-557863
6.299827
5.087296
-4.446634
other
K4Ag8Pt6N24O48
90
14
1,363.8
mp-771939
14.603992
7.990644
-5.665806
other
Li2Ti4Ni2P4O20
32
14
358.05
mp-738687
8.210011
0.580052
-4.445507
other
Mn4H76C24I12N8
124
14
1,757.77
mp-1200217
7.911332
0.352464
-4.4975
other
P4H36Pt4C12Cl8
64
14
850.03
mp-1182836
11.773316
6.311772
-6.451893
other
Ca8Mn12P12H24O68
124
14
1,321.82
mp-1203721
12.173537
4.969926
-5.321152
other
K4Gd4P8H16O36
68
14
882.93
mp-699550
11.006976
10.966031
-3.770912
other
K4Cu12Ag4Mo16O64
100
14
1,510.79
mp-556831
3.037724
2.889115
-4.212296
other
Al4Se4S8N8Cl20
44
14
1,244.1
mp-1199249
9.402489
3.427902
-4.952677
other
Mg4H44C8N4O40
100
14
1,002.36
mp-556414
9.260444
6.688273
-2.934053
other
Cs4Tm4Se4Cl8O12
32
14
785.71
mp-24538
10.895702
4.263415
-4.697023
other
K4H24Ru2S4O28
62
14
672.98
mp-707852
7.349987
2.067878
-4.369984
other
Cu4H32C4N20Cl12
72
14
1,399.68
mp-1197774
11.489936
7.486708
-7.388888
other
Rb4Fe4Cu4P8O32
52
14
692.49
mp-774606
8.452368
5.693732
-7.306792
other
Na4Mn4P4C4O28
44
14
592.96
mp-707833
5.533505
3.264086
-4.638199
other
H4Ru24C64N4O64
160
14
2,609.09
mp-703515
12.297152
5.610635
-2.676035
other
Ca4Cu4Si4H8O20
40
14
436.21
mp-706514
9.580701
3.266966
-3.746395
other
H20C4S4O20F12
60
14
711.3
mp-601190
7.891768
2.184531
-4.602047
other
H28W4C28N4O20
84
14
1,103.74
mp-780330
12.133288
6.536005
-6.688437
other
Li4Mn2P8H6O28
48
14
601.95
mp-1196498
8.489142
1.169099
-4.440957
other
H108C36S8N12O20
184
14
1,869.87
mp-1202903
8.113416
0.612441
-4.47997
other
Ti4H76C24N12Cl8
124
14
1,671.11
mp-1197470
7.659908
0.362094
-4.150862
other
Cr2B12H72C16O4
106
14
1,057.68
mp-766616
9.512367
3.610188
-8.720786
other
Li12Mn4P4C4O28
52
14
546.81
mp-728532
5.144773
2.735363
-3.498128
other
Si24C32N8Cl16O12
92
14
2,783.25
mp-1204453
5.881764
3.297595
-3.618377
other
Hg4As4C16Se12N4
40
14
976.74
mp-1197983
10.893425
3.728064
-4.576128
other
Cd4P8H40N8O32
92
14
918.08
mp-1196132
13.367762
6.920256
-6.57437
other
Mn6P8H4Pb4O32
54
14
693.89
mp-780864
11.20789
6.160369
-6.183028
other
Li4Mn8P8H20O44
84
14
857.85
mp-1202528
9.37471
2.654547
-4.539524
other
V8Zn4H72N24O40
148
14
1,473.1
mp-709886
10.210287
4.553378
-5.171515
other
Cu8H40Pb32S8O88
176
14
2,423.92
mp-23689
10.328264
4.192859
-5.162289
other
Na4Co2H16S4O24
50
14
514.57
mp-1204656
7.686398
1.062415
-4.389503
other
Si8H20C4N4Cl16
52
14
1,026.59
mp-559466
10.930252
3.590963
-4.590953
other
Mn4P12H48N4O28
96
14
1,045.12
mp-1202715
11.120375
3.562902
-4.689355
other
Mg2P12H48N8O44
114
14
1,165.85
mp-1196749
10.082693
2.44238
-2.557777
other
Cr2Si2H16O8F12
40
14
392.21
mp-554044
9.252921
3.503317
-5.467223
other
K4Ni2H24C8O28
66
14
704.25
mp-559097
8.010667
2.554675
-1.707281
other
Ni2As4S12O24F24
66
14
1,116.24
mp-758721
12.684845
6.193195
-5.620858
other
Li4V8P8H20O44
84
14
918.39
mp-555959
10.86062
3.688347
-4.512424
other
Ni4P12H48N4O28
96
14
979.76
mp-1208201
-3.355043
-1.276348
-5.371828
other
Tl4Sb4As8Pb4S24
44
14
1,172.78
mp-1180862
9.529132
2.805007
-2.675694
other
Ni2Sb4H16O12F16
50
14
584.19
mp-1204429
10.216174
4.351186
-6.396197
other
K22Np4H18S20O88
152
14
2,219.24
mp-699471
9.498677
2.85351
-3.896387
other
Mo12H36I12Cl16O16
92
14
1,863.24
mp-720384
8.62825
2.392873
-4.796432
other
Ca4H24C8N16O16
68
14
699.55
mp-1197977
3.764536
2.999342
-4.316359
other
P8S4N8Cl24O8
52
14
1,295.36
mp-728240
11.281644
7.558927
-7.359524
other
Ca4Fe8P12H4O48
76
14
854.63
mp-1214630
6.48993
4.339346
-4.40528
other
Cd4Re8C8N16O40
76
14
1,469.22
mp-1182788
10.040588
4.43058
-4.691844
other
Cs4Ni2H24S4O28
62
14
826.31
mp-1200356
9.09262
2.731087
-4.613241
other
H28C4Se4N12O16
64
14
680.47
mp-559393
8.760249
4.277565
-4.944433
other
K8C4S8O24F8
52
14
864.05
mp-555139
10.272998
2.539624
-2.931117
other
Zr4Cu6H64O32F28
134
14
1,185.34
mp-849320
13.935172
8.759007
-6.130882
other
Na8Li8V12P8O52
88
14
1,121.23
mp-779742
10.238433
4.622065
-4.599551
other
Cs4Zn2H24Se4O28
62
14
800.71
mp-768042
9.231814
4.767186
-8.312144
other
Na8Fe4P4C4O28
48
14
613.98
mp-558424
7.642713
6.893541
-3.574172
other
Rb8U4Cr4I8O48
72
14
1,349.15
mp-727058
4.349518
2.80882
-4.052166
other
Ti4Si8C12N8Cl20
52
14
1,468.58
mp-850516
13.436228
4.547552
-2.53482
other
Ca8Si4B20H20O56
108
14
1,026.16
mp-1205475
10.306284
4.303408
-4.954472
other
Fe4H40S8N4O44
100
14
993.76
mp-770638
10.408438
4.161852
-4.842742
other
Li4Co2H24S4O28
62
14
589.36
mp-1215077
12.523969
6.544936
-1.006899
other
Ca4U8Si8H16O48
84
14
1,285.15
mp-1204667
10.281013
2.867974
-4.616373
other
Pu4P8H24C8O24
68
14
818.24
mp-766704
9.688553
3.793614
-8.529143
other
Li12Cr4P4C4O28
52
14
551.33
mp-631397
8.007689
2.857057
-1.928641
other
Fe4B4N12O12F16
48
14
709.32
mp-600168
8.113444
1.605909
-4.586948
other
Co4H36C24S24O12
100
14
1,459.96
mp-18715
8.92212
7.808208
-2.529143
other
Yb4Be4Si4Ni2O20
34
14
351.69
mp-1197853
9.977346
3.535981
-5.211627
other
Cs4H8S4N4O12
32
14
502.53
mp-1211577
12.890862
6.258203
-0.543246
other
K4Sr8Si16O40F4
72
14
1,087.31
mp-1197608
11.245699
4.107543
-4.453802
other
Na12Mg4P12H96O88
212
14
2,075.18
mp-17509
4.179858
2.211051
-3.219097
other
Rb4Na2Cr2C12N12
32
14
639.73
mp-1212300
10.891936
10.970493
-3.702382
other
K8U4Mo8H4O40
64
14
1,188.5
mp-1195112
13.71775
4.247158
-2.262558
other
Ba22B52P4H12O116
206
14
2,511.36
mp-676461
9.899179
10.604145
3.270994
other
Ca4La4Mg2Ti6O24
40
14
480.37
mp-728736
7.440675
2.429858
-4.658054
other
Mn8P4H36C48O36
132
14
1,802.33
mp-863294
11.013681
8.245761
-7.237901
other
Rb4V4Ga4P8O40
60
14
892.23
mp-1236856
13.105216
6.632153
-6.041564
other
Ba4P12H4N4O36
60
14
1,079.61
mp-766707
9.333636
3.71009
-8.478368
other
Li12Co4P4C4O28
52
14
530.42
mp-1199269
8.926823
4.07842
-5.31741
other
K8S16N8O32F16
80
14
1,349.62
mp-1199770
11.199169
8.358036
-7.388456
other
Na4V4Zn4P8O36
56
14
706.68
mp-758936
11.611271
4.604208
-4.883731
other
Na4Co2P8H32O40
86
14
863.23
mp-1196678
12.491957
5.787592
-6.110372
other
In4Ag4P8H8O32
56
14
677.91
mp-759229
14.794624
7.845443
-5.783908
other
Li16Fe8P8O32F8
72
14
768.16
mp-569604
8.473816
0.88584
-4.471213
other
Sb4H72C12N12Cl24
124
14
1,633.57
mp-560077
8.146227
2.364388
-1.226317
other
As4S4Xe8O12F36
64
14
1,240.33
mp-570909
8.03725
0.663572
-4.539045
other
Cu4Te16H48C16N4
88
14
1,292.25
mp-1200048
6.357941
4.521488
-4.460816
other
Bi4C12S12N36O36
100
14
2,079.84
mp-943462
10.83228
4.698959
-6.421692
other
Li4Fe4H4S4O20
36
14
360.25
mp-1202051
8.976919
3.471426
-5.615131
other
Zr4Hg4H40C24O68
140
14
1,513.29
mp-1198846
9.035061
3.43389
-3.100034
other
Te4H12N4O8F8
36
14
428.36
mp-1199821
5.855918
3.322612
-3.817055
other
P8C8S8N24O16
64
14
1,325.63