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-1214657
5.905098
3.74277
-3.902091
other
Cd2Re4C12N24O28
70
14
1,362.64
mp-740740
10.970634
3.952754
-4.293624
other
Na8Zn4P4H60O48
124
14
1,140.78
mp-24598
12.327614
5.559037
-5.533241
other
Ba4V4P8H16O40
72
14
806.96
mp-1200899
12.870523
5.767338
-6.349134
other
Cs4Ga2P8H6O28
48
14
711.76
mp-1198499
8.131924
2.363736
-1.518074
other
Co4As8S16O32F48
108
14
1,873.96
mp-1182554
12.925138
6.454474
-5.29689
other
Fe8P4H8C4O28
52
14
690.85
mp-1196772
10.43488
4.105672
-4.934119
other
Na4Cu2H24S4O28
62
14
628.22
mp-1202073
7.792106
3.379888
-1.968049
other
Be4Co2N4O12F16
38
14
673.31
mp-770611
10.372516
4.21672
-5.125113
other
Li4Co2H16S4O24
50
14
465.29
mp-1197688
10.463712
4.316399
-6.318693
other
K4Dy4H8S8O36
60
14
817.49
mp-23787
10.379708
4.089307
-5.207079
other
Na4Zn2H16S4O24
50
14
514.42
mp-1180986
9.260352
4.688854
-4.089133
other
K4Zn2H24S4O28
62
14
863.6
mp-759402
12.56058
5.486952
-5.614954
other
Li8Cr2P12H16O44
82
14
936.82
mp-758842
9.165128
3.021495
-5.042681
other
Nb4H56C16N4O56
136
14
1,360.73
mp-849805
6.70424
0.251237
-3.593989
other
B48H84C16S8I4
160
14
1,740.65
mp-1214467
9.737302
7.377884
-4.922109
other
Ba4Al4P4O20F4
36
14
463.89
mp-766492
9.02303
1.809569
-1.163758
other
Sr8Cr4C4O12F20
48
14
670.56
mp-1203902
7.582604
2.481639
-1.567212
other
Co2As4S12N12F36
66
14
1,263.72
mp-850535
10.354961
4.217107
-5.671036
other
K8Mn12H40S16O84
160
14
1,880.27
mp-566334
8.325046
2.359622
-1.129761
other
Sb12C8N4O8F64
96
14
1,605.58
mp-1196599
10.195691
2.546173
-3.96495
other
Cu2H16N4O4F8
34
14
279.46
mp-1195039
13.020411
6.176106
-5.464978
other
Ba8Zn8Te4P8O44
72
14
1,119
mp-1202001
4.91878
2.900428
-3.677953
other
Te4P8C24N8Cl8
52
14
1,439.84
mp-770078
8.407164
5.754485
-7.364552
other
Li4Mn4P4C4O28
44
14
531.86
mp-1194968
6.566398
4.963367
-4.469046
other
Ba4H8Pd4N16O36
68
14
953.43
mp-1100920
10.221207
3.103154
-4.601808
other
V2H20S4N4O16
46
14
464.9
mp-698360
4.681894
2.824821
-3.571394
other
Hg4H8C24N8Cl16
60
14
1,494.41
mp-1204374
8.367639
8.14184
-4.58814
other
K4Cr4Cu2P4O28
42
14
629.95
mp-1203607
8.598733
2.159117
-4.808428
other
Cu8H40C24N8O32
112
14
1,236.02
mp-559610
13.398438
5.37697
-6.53903
other
Rb8Na4Al8P12O48
80
14
1,176.23
mp-1196309
8.063585
0.833154
-4.412445
other
Cr12P8H160C64O40
284
14
3,391.1
mp-1200873
10.817316
3.623726
-4.860094
other
Na4P8H20C4O24
60
14
684.53
mp-656859
10.069077
4.689766
-4.724451
other
Fe4P4H20C4O32
64
14
881.62
mp-1199210
12.327178
7.610134
-7.798841
other
Li12Mn4P8O24F16
64
14
751.43
mp-706287
12.04307
5.280187
-5.506544
other
K4Cu4P4H8O20
40
14
495.77
mp-1198123
8.009352
0.769059
-4.528238
other
Al8H56C16S8Cl32
120
14
2,300.07
mp-766713
10.753606
7.445162
-5.375813
other
Zn2Fe4As4H4O20
34
14
394.31
mp-2647157
6.584976
-0.046163
-3.691998
other
Tb4B12H72C8S4
100
14
1,013.23
mp-1201091
4.944354
3.226575
-4.23508
other
Ge4Ru2C8Cl12O8
34
14
839.6
mp-1196697
8.268808
2.188822
-4.277046
other
Si4H24C16N20F24
88
14
1,025.02
mp-697660
7.663094
1.660975
-4.186364
other
Cu8H24C12N16O4
64
14
777.55
mp-24283
8.170526
0.738224
-4.499961
other
P4H36C12Br12N4
68
14
1,062.44
mp-1201988
10.705833
4.128222
-4.912177
other
Mg2Tl4H24S4O28
62
14
666.11
mp-542884
10.508992
4.287927
-5.964361
other
Rb8Be4H16S8O40
76
14
1,037.23
mp-758167
12.594946
5.480837
-5.528875
other
Mn6Ga8P12H24O60
110
14
1,203.32
mp-1199822
8.300274
0.678006
-4.522545
other
Cu4H80C24N8Cl16
132
14
1,654.67
mp-1201431
3.283703
2.859052
-4.268262
other
P12H8C4N8Cl44
76
14
2,003.87
mp-560412
12.199706
4.934041
-5.584075
other
Gd4P16H16N4O48
88
14
1,008.9
mp-649415
6.158857
5.097398
-4.70309
other
K4Bi4N4Cl12O12
36
14
825.82
mp-1198390
10.279634
4.639927
-4.575954
other
Rb4Mn2H24Se4O28
62
14
782.84
mp-782100
8.414919
0.813336
-4.494431
other
As16H96C32S28N8
180
14
2,447.72
mp-669540
6.158557
5.206627
-4.478059
other
K4Pt2N8Cl4O16
34
14
619.88
mp-766685
9.547019
3.63537
-8.406531
other
Li12Fe4P4C4O28
52
14
538.09
mp-1201879
4.091602
3.07086
-3.828397
other
Hg4C4S4N12Cl8
32
14
971.1
mp-683936
-4.562001
-3.142289
-3.567842
other
Ba16La4Ge12Sb4Se52
88
14
2,706.53
mp-1204122
11.900298
7.300442
0.402601
other
La8Si4C4N8O16
40
14
547.29
mp-1020629
3.479795
2.751422
0.609505
other
Sr4Mg4P12N20O8
48
14
580.31
mp-735589
14.363243
8.446537
-6.521217
other
Ca4V8P12H4O48
76
14
859.14
mp-1201830
13.433242
4.979991
-2.19612
other
Ca4Si4B4H4O20
36
14
508.58
mp-1181321
4.963882
4.066432
-4.172784
other
Ir2S4N10Cl8O12
36
14
882.18
mp-1213492
10.346066
3.36297
-4.897843
other
In4H48S12N12O48
124
14
1,206.79
mp-1204321
10.379889
5.21097
-4.373876
other
K8Ca4V16H56O76
160
14
1,862.29
mp-1204011
8.092337
3.650549
-4.723719
other
Ag4H28C4N32O28
96
14
1,082.16
mp-735568
11.555107
4.66051
-4.86428
other
Na8Co6P8H36O48
106
14
1,047.07
mp-555884
10.40365
9.540318
-1.954485
other
Er4Cu4Te8Cl4O24
44
14
741.52
mp-19488
10.10181
4.557197
-7.272328
other
Rb8Mn4S4O16F12
44
14
759.57
mp-24277
12.241474
4.948187
-5.337379
other
K4Gd4P8H16O36
68
14
861.47
mp-510532
10.908014
5.226863
-4.716465
other
Fe4Co2As4H20O28
58
14
569.31
mp-556903
8.242733
2.255998
-0.924393
other
Hg2Sb8C4O4F44
62
14
1,038.47
mp-778185
10.533237
4.269555
-5.259804
other
Li8Fe4H32S8O48
100
14
1,068.75
mp-722280
10.021566
2.973623
-3.848925
other
Li4Cu4H16Cl12O8
44
14
617.17
mp-1195487
8.846638
3.73042
-7.053605
other
Na8Cd6H4C8O28
54
14
633.96
mp-722263
8.8243
1.909297
-4.259791
other
Zr2H28C4N16F12
62
14
608.26
mp-768094
9.228446
4.770931
-8.314125
other
Na8Fe4P4C4O28
48
14
613.87
mp-15539
13.163515
6.840956
-0.904989
other
Ca4Mn8Be12Si12O48
84
14
892.37
mp-573010
8.32144
2.404352
-1.444137
other
Mn2As4S8N8F48
70
14
1,158.33
mp-1019782
12.994769
5.262087
-6.153956
other
K8Li4B4P8O32
56
14
717.87
mp-555729
7.775677
1.468959
-4.388101
other
Cu8H40C24S12N16
100
14
1,257.37
mp-734433
10.006385
2.967517
-3.89523
other
Cd8Ni2H40Cl20O20
90
14
1,261.21
mp-601348
11.677947
4.152538
-5.187754
other
Lu4P8H16N4O28
60
14
714.54
mp-1197925
10.50362
7.130671
-6.233861
other
Sr8Ga4P8O32F8
60
14
799.87
mp-782105
8.690865
1.184104
-3.928821
other
Na12Sb4H120S12N40
188
14
2,097.27
mp-1198661
7.843432
1.076302
-4.539678
other
Cr4P8H56C36O16
120
14
1,573.61
mp-1214196
11.873036
5.756122
-4.532779
other
Ca4Zn2As4H8O20
38
14
421.92
mp-1238063
8.633106
2.306826
-1.480241
other
Sr4H16Ir4O8F24
56
14
745.42
mp-728651
3.462541
3.134266
-4.493488
other
Sb16P16C16Cl48O48
144
14
3,567.46
mp-1198856
10.64931
4.145467
-4.965259
other
Rb4Fe2H24S4O28
62
14
715.85
mp-695007
10.167089
3.978259
-4.577352
other
V2H20S4N4O16
46
14
389.59
mp-581862
13.032472
5.408294
-6.17911
other
Cs16Na8Al8P16O64
112
14
2,015.12
mp-1194957
8.172578
2.197791
-1.014335
other
Hg4Te8Xe6O8F52
78
14
1,516.78
mp-1019708
13.048646
5.642465
-6.059033
other
Cs4Ba4Li4P8O28
48
14
826.81
mp-781053
13.566677
6.790026
-5.953557
other
Li4Fe4P12H8O40
68
14
842.08
mp-505661
4.203574
2.288913
-3.214913
other
Cs4Rb2Fe2C12N12
32
14
722.15
mp-558754
8.140175
2.336442
-1.317169
other
Sb8Os2C12O12F44
78
14
1,282.99
mp-706608
11.76619
4.744018
-4.890748
other
K4P4H12O12F4
36
14
466.58
mp-768053
9.232512
4.775521
-8.31133
other
Na8Fe4P4C4O28
48
14
615.35
mp-1203240
10.447112
4.288864
-6.303435
other
K4Sm4H8S8O36
60
14
795.68
mp-1210423
8.814897
6.531583
-3.9421
other
U4Zn4H20Se8O40
76
14
1,236.6
mp-727099
4.721837
3.081105
-3.819
other
Sb4C16S8Cl12O8
48
14
1,503.7
mp-1204336
10.5839
7.094358
-5.924861
other
K4Al4B4P8O36
56
14
714.84