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-1256014
11.601748
5.806354
-5.749905
other
K4Al8P8H16O44
80
19
909.18
mp-24018
11.845187
6.573895
-4.344908
other
Ca4Zn4As4H4O20
36
19
402.01
mp-510279
11.727667
6.866522
-4.050605
other
Zn4As4H4Pb4O20
36
19
458.72
mp-1019735
12.230186
6.535764
-0.648355
other
Ba4Na4Eu4Si12O36
60
19
851.74
mp-759578
14.347957
7.637829
-5.658163
other
Rb8Li4V4P8O32
56
19
900.65
mp-698468
8.217952
3.667006
-4.821025
other
Cd4H36C8N16O40
104
19
1,131.67
mp-1211570
13.46719
8.465654
-2.130379
other
Nd4P8H8W8O24
52
19
925.14
mp-773494
10.002812
3.390686
-4.89804
other
Cs4H20S8N8O24
64
19
854.43
mp-677703
2.833765
2.330795
1.751482
other
Nd16Si16N28Cl4O12
76
19
1,145.84
mp-1198664
12.535018
6.181003
-6.580838
other
Cs12Ca4Fe4P16O56
92
19
1,582.3
mp-1210458
12.647428
5.248652
-2.364205
other
Na12Y4Si12H24O48
100
19
1,126.89
mp-818385
12.647087
7.926123
-7.371134
other
Rb12V8Zn4P16O68
108
19
1,633.95
mp-554643
10.000875
4.800109
-6.329328
other
K8Sb4S4O16F12
44
19
764.14
mp-706295
8.876859
3.837871
-4.125658
other
H48Pt8N16Cl8O40
120
19
1,381.88
mp-1182445
9.892612
3.865411
-5.2474
other
Na12H24S12N12O36
96
19
1,198.55
mp-1256333
11.04339
7.414856
-1.876827
other
Al20Cu12Si24O84F24
164
19
1,828.28
mp-1195368
8.390326
1.509509
-4.45912
other
Si4H56C24N8O16
108
19
1,181.94
mp-1199231
11.495734
3.883137
-4.035053
other
Al8Si8H32N8O36
92
19
974.34
mp-9512
13.490952
5.436535
-6.622021
other
Sr4Al8P8O32F8
60
19
708.61
mp-1215089
10.773649
5.593216
-5.188418
other
Al8P8H24N4O44
88
19
927.29
mp-1182454
5.383309
3.441642
-3.664556
other
Mo8C32Br32N8O12
92
19
3,343.23
mp-14353
11.684759
7.304491
-0.206829
other
Ba4Na4Nd4Ge12O36
60
19
921.91
mp-24055
7.948285
3.970875
-4.769831
other
K4Co4H24N24O32
88
19
1,017.27
mp-605659
8.194785
0.610547
-4.479568
other
Hg4H96C32I16N8
156
19
2,360.4
mp-1194871
11.810992
6.983231
-4.359927
other
Sr4Co4As4H4O20
36
19
442.73
mp-556752
6.768828
5.791805
-4.072885
other
Cs4Tc4N4Cl4O16
32
19
681.07
mp-769153
10.156889
4.66112
-6.644329
other
Li8Sb4S4O16F12
44
19
584.13
mp-686689
13.227926
5.519125
-0.775279
other
Y8Be4Al4B4O28
48
19
560.43
mp-730945
12.24911
4.90606
-5.328059
other
K4Al8P8H20O44
84
19
900.14
mp-707532
10.310124
3.586807
-4.45248
other
Na4H32Se4N4O24
68
19
720.04
mp-1213441
10.538455
10.723568
-3.562579
other
Cs4Na4Mo4H8O16
36
19
741.81
mp-1249529
13.179107
5.398272
-0.758281
other
Y8Be4Al4B4O28
48
19
577.98
mp-558201
11.632763
11.094362
-3.59247
other
Zr4Mn8Ag16Mo24O96
148
19
2,313.35
mp-1197768
4.747513
1.944452
-2.513093
other
Ba8Li4Al4C16N32
64
19
1,006.83
mp-1195179
7.932055
3.896154
-4.705195
other
K4H24Rh4N24O32
88
19
1,151.85
mp-698262
9.169412
2.679908
-4.902276
other
V4H64C16N12O48
144
19
1,452.48
mp-1198494
8.357998
1.844656
-1.84854
other
Cs8B48H8O4F48
116
19
1,679.34
mp-1180298
9.59285
4.360046
-4.906446
other
Na12H24S12N12O36
96
19
1,247.13
mp-1212914
8.462085
1.429695
-4.275677
other
H32Ru4N12Cl20O4
72
19
975.78
mp-699390
2.840792
2.368619
1.782366
other
Pr16Si16N28Cl4O12
76
19
1,161.7
mp-553891
12.197371
4.968555
-5.456467
other
Mg8B4P12H24O56
104
19
1,036.91
mp-1232363
7.824698
1.457651
-4.420319
other
Cu4H20C24S4O4
56
19
624.01
mp-1198443
13.215462
5.435942
-6.497347
other
Na8Al12P12H8O56
96
19
1,061.84
mp-560900
8.012436
3.584953
-4.29994
other
Rb4Sb8C8O16F20
56
19
948.03
mp-556186
4.014405
2.924492
-4.285724
other
P8S4N12Cl20O4
48
19
1,215.92
mp-1195793
14.325509
7.388422
-5.12163
other
Ba4Fe4P4H4O20
36
19
460.97
mp-774928
11.200101
4.784503
-5.182195
other
Mn8P8H28N4O40
88
19
890.36
mp-1196236
8.315424
2.171167
-0.820935
other
K8Sb8Se4O20F24
64
19
1,132.22
mp-1203596
8.929588
2.89891
-5.189801
other
Mn4H28C12N4O28
76
19
855.2
mp-758914
14.658203
8.127426
-4.931932
other
Rb4Li4V4P4O20
36
19
547.29
mp-1201525
9.196497
2.271741
-1.58823
other
Na8Mo4H8O12F16
48
19
624.59
mp-1194650
8.354227
1.977887
-4.407919
other
Cs4H12C4N8O4
32
19
441.44
mp-1201936
8.876216
2.932675
-5.175635
other
Mg4H28C12N4O28
76
19
799.4
mp-554390
2.692784
2.446522
1.938572
other
Sr4Al8Si4N8O12
36
19
462.78
mp-686294
2.609842
2.273819
2.001627
other
Ce16Si16N28Cl4O12
76
19
1,118.15
mp-23645
10.081975
5.118761
-6.03707
other
K4Bi4S4Cl8O16
36
19
750.91
mp-510729
11.533828
6.894259
-4.558167
other
Ca4Cu4As4H4O20
36
19
415.4
mp-1213971
10.443338
12.043904
-3.579996
other
Ca4V4Cu4H4O20
36
19
415.68
mp-761144
13.699755
6.405853
-6.255202
other
Na12Li4Sb4P8O36
64
19
885.58
mp-677082
2.595599
2.281936
1.996384
other
Ce16Si16N28Cl4O12
76
19
1,151.02
mp-697156
12.269166
6.094945
-6.145029
other
Ba4Cu8P8H8O36
64
19
764.69
mp-1201597
8.981244
3.140499
-5.153787
other
Ni4H28C12N4O28
76
19
744.34
mp-698690
13.642018
7.206061
-0.965736
other
Na4Ca4Ga4Si8O28
48
19
752.85
mp-1204053
7.844355
1.681126
-4.598149
other
Sb4H48C24N36Cl24
136
19
1,995.07
mp-1223297
-2.83644
-2.188844
-5.419433
other
La4Ce4Sb4S20Br4
36
19
895.91
mp-14484
10.22402
4.282498
-7.216547
other
K4Na4Li8S8O32
56
19
761.59
mp-1182595
10.931107
9.813417
-3.08306
other
Ba4Te8Mo8H8O48
76
19
1,094.49
mp-1198880
8.941388
2.992939
-5.150115
other
Zn4H28C12N4O28
76
19
814.53
mp-707391
10.64862
3.712875
-4.128144
other
Na12As4H96Se4O60
176
19
1,703.72
mp-686735
12.940287
6.325086
-0.45429
other
Na4Ca4Al4Si8O28
48
19
591.5
mp-1198346
12.507367
5.112934
-2.557196
other
Na8Be4Si16H32O56
116
19
1,220.35
mp-556604
12.590742
6.309435
-6.461494
other
Ba4Cu4P4Cl4O16
32
19
520.16
mp-722866
8.873211
1.778203
-4.252716
other
Sb4H24C4N12F16
60
19
686.92
mp-505457
11.577038
7.117147
-4.34259
other
Ca4Ni4As4H4O20
36
19
407.09
mp-1204953
9.078062
7.466343
-4.627665
other
Zn4P12C24N8O48
96
19
1,677.43
mp-1215070
13.398222
8.156216
-0.608898
other
Ca8Al16Si16W16O64
120
19
1,970.68
mp-726331
5.351791
3.336829
-4.107079
other
C4S16N16Cl4O8
48
19
1,169.33
mp-759514
10.587234
4.522145
-4.471894
other
V8P4H40N4O44
100
19
951.97
mp-721049
9.13518
3.084254
-4.238931
other
H64Rh4N20Cl8O32
128
19
1,308.15
mp-1204847
9.993625
3.703
-5.196106
other
Na12H24S12N12O36
96
19
1,151.95
mp-706283
9.85096
2.051378
-3.714824
other
In4H28N8O4F16
60
19
560.62
mp-695941
9.906536
2.684147
-4.384451
other
Ag12H52Se4N16O20
104
19
1,147.14
mp-758536
11.690193
5.734476
-5.759024
other
K4Al8P8H16O44
80
19
914.13
mp-23815
11.806021
7.0739
-4.551812
other
Ca4Co4As4H4O20
36
19
413.98
mp-622613
4.317507
2.496732
-3.406511
other
Rb8Fe4C20N24O4
60
19
1,132.48
mp-560769
11.104419
7.618515
-7.311479
other
Na4Zn4Fe8P12O48
76
19
974.37
mp-849797
6.696379
0.296675
-3.592976
other
B48H80C16S8Br8
160
19
1,866.42
mp-13791
12.599734
6.331015
-0.241042
other
Ba4Na4Nd4Si12O36
60
19
855.41
mp-1203013
8.99116
3.057615
-5.147557
other
Co4H28C12N4O28
76
19
801.97
mp-698406
9.584147
2.582534
-4.338252
other
Mo4H48N12O20F12
96
19
943.86
mp-1097038
11.565806
4.316696
-3.565546
other
Li2Al4H12Br2O12
32
193
340.75
mp-643655
11.537634
4.233212
-3.54549
other
Li2Al4H12Cl2O12
32
193
329.36
mp-1196045
4.211452
2.857689
-3.297386
other
Gd2Au6C12N12O6
38
193
733.48
mp-1210148
12.903586
6.452267
-0.66167
other
Na2Be6Al4Si12O38
62
192
696.17
mp-15541
13.454092
5.908101
-0.673478
other
K2Na4Si24B6O60
96
192
1,275.75
mp-1214221
12.901841
6.37889
-0.664474
other
Be6Al4Si12H2O36
60
192
696.25
mp-16055
12.976822
6.171166
-0.744057
other
K2Li6Zr4Si24O60
96
192
1,326.04
mp-6844
12.946398
6.385021
-0.903312
other
K2Li6Si24Sn4O60
96
192
1,296.68
mp-1214341
8.043092
6.886103
-4.758927
other
Ca6Mn2H6S4O28
46
194
794.67
mp-6872
8.547737
2.025894
-0.988755
other
K6Si2N2O6F12
28
194
422.2