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-600233
8.566634
1.163097
-4.486078
other
Co4H56C12N4Cl12O8
96
62
1,013.29
mp-1199681
7.926185
0.311673
-4.561523
other
Al4Sn4P4H72C24Cl16
124
62
1,972.1
mp-1203696
12.301097
5.306187
-6.044054
other
Na12Cu4P4H4Cl4O20
48
62
659.94
mp-1204099
8.136041
1.818215
-4.481171
other
Bi4H56C16N32Cl20O8
136
62
1,829.85
mp-1203219
9.277214
2.8671
-4.558988
other
Co4H48C4N16Cl4O28
104
62
1,080.82
mp-720719
12.743078
5.939866
-1.136933
other
Ca8Y8Si16H8C4O64
108
62
1,294.48
mp-697260
8.094269
1.653954
-4.436399
other
Cd4H32C8S8Br8N16
76
62
1,113.66
mp-600189
8.576673
1.108162
-4.472682
other
Mn4H56C12N4Cl12O8
96
62
1,076.32
mp-735597
4.658381
2.301487
-3.43621
other
K16H16W4C32N32O8
108
62
1,787.38
mp-601202
8.76856
3.560972
-4.113345
other
Na4H8C4S4O16F12
48
62
635.62
mp-707509
10.054852
4.27763
-4.355691
other
Cu4H24Se8N4Cl4O24
68
62
826.34
mp-600190
8.662978
1.22787
-4.31046
other
La4H96C12N12Cl24O12
160
62
1,828.45
mp-1203315
8.367808
2.23783
-1.496844
other
As4P4H4Br12O4F24
52
62
1,078.98
mp-722245
6.69151
2.404492
-4.132459
other
K8H8C8S8N8O4
44
62
831.07
mp-728693
8.539042
2.912027
-4.612797
other
Co4Ni4H48C16N16O24
112
62
1,348.97
mp-1204228
13.046219
7.14478
-7.189361
other
Na8Li8Co8P8O32F8
72
62
802.3
mp-600221
8.597693
1.141259
-4.513397
other
Fe4H56C12Br12N4O8
96
62
1,145.57
mp-707774
10.875213
4.661399
-4.591038
other
Mg12B8H36S4O52F4
116
62
1,147.52
mp-1196487
9.404022
5.980193
-4.568976
other
Rb8U8H16Se8O56F8
104
62
1,652.69
mp-1204663
8.649677
1.233157
-4.362093
other
Hf8H112C32N8O8F40
208
61
1,979.7
mp-555921
8.717312
1.292839
-4.625254
other
P8H72Au8C24Cl8O24
144
61
1,744.24
mp-600205
7.922995
1.326205
-4.427362
other
H80C40Se8S16N24Cl8
176
61
2,368.23
mp-1195490
9.782215
2.63019
-4.416533
other
Ni4H128C16S8N8O64
228
61
2,036.43
mp-707368
8.767227
1.839034
-4.215365
other
K8P16H64S8N56O16
168
61
1,844.08
mp-722686
9.133923
2.212627
-4.398724
other
Si4H40C8N16O8F24
100
61
973.91
mp-1202889
9.570169
3.231646
-5.836781
other
Na8Zn8P8H16C16O48
104
61
1,109.43
mp-1200006
8.400801
1.655393
-4.563201
other
Ag16H128C48S32N16O48
288
61
3,488.6
mp-1248231
5.02341
2.59305
-3.568478
other
Al8Si16H8C48N8Cl24
112
61
2,642.48
mp-604071
9.73718
3.474574
-5.894357
other
K16Fe8P8H40C16O80
168
61
1,970.07
mp-600215
9.087504
1.721066
-4.431161
other
P8H72C16N8O24F8
136
61
1,524.38
mp-1202100
11.677591
4.277262
-5.191241
other
Al24P24H56C8N8O104
224
61
2,531.09
mp-1203908
11.67802
4.5004
-5.509386
other
Ga24P24H48C8N8O104
216
61
2,582.84
mp-710380
4.968758
2.602671
-3.548962
other
Al8Si16H8C48N8Cl24
112
61
2,831.76
mp-1200387
10.822733
4.31505
-5.740787
other
Na8Fe8P8H16C16O48
104
61
1,138.99
mp-603254
8.113299
0.701736
-4.499594
other
P8H72Au8C24S24Cl8
144
61
1,993.78
mp-1198870
8.360819
4.734601
-5.061765
other
Cd8H32C8S16N16O48
128
61
1,680.74
mp-709143
8.535563
1.22742
-4.290906
other
Zr8H88C32N8O8F40
184
61
1,936.78
mp-600217
7.932123
1.324526
-4.417872
other
H80C40Se8S16Br8N24
176
61
2,448.63
mp-1201812
8.114388
1.654525
-4.442305
other
Ag8H32C8S8N16Cl8
80
61
1,093.77
mp-721604
7.96068
1.655254
-4.429579
other
Cu8H32C16S16N16Cl8
96
61
1,252.15
mp-1204696
11.280697
3.978573
-5.041185
other
Al24P24H64C16N8O104
240
61
2,559.61
mp-729099
7.531829
4.86531
-5.716688
other
Rb16Cd8C16N8Cl8O64
120
61
2,195.97
mp-1199816
8.615253
1.606164
-4.481613
other
Cu8H96C8N48Cl32O8
200
61
2,274.2
mp-1201000
8.429705
1.178971
-4.324313
other
In8H80C16Se8Cl24O16
152
61
2,148.29
mp-1199791
8.270037
0.917133
-4.460735
other
Be8H192C64S32Cl16O32
344
61
4,248.76
mp-1198926
7.809089
1.698605
-4.44249
other
Re8H96C24S24N48Cl48
248
61
3,753.11
mp-1201732
6.6716
2.168906
-4.142973
other
Pr2Fe2H16C12N12O8
52
63
780.18
mp-1195446
8.508903
1.621587
-4.418303
other
Co2H48C12Br4N8O12
86
63
1,146.82
mp-1210407
4.171265
3.262868
-3.982187
other
Re2C8S8N16Cl16O6
56
63
1,415.16
mp-1180947
5.293494
3.518698
-4.178055
other
K2Tb2Ru2C12N12O8
38
63
687.58
mp-1179748
3.883084
2.835786
-3.43338
other
Rb2Hg2C4N4Cl2O2
16
63
488.2
mp-1200936
7.142453
2.276646
-4.383865
other
Er2Co2H16C12N12O8
52
63
633.27
mp-1198412
6.668241
2.190143
-4.18127
other
Sm2Fe2H16C12N12O8
52
63
754.91
mp-1201407
10.274745
5.597336
-4.809814
other
V8Co2H8C8N4O20
50
63
599.67
mp-1214670
12.917303
6.323248
-0.638485
other
Ca8Be4Al4Si18H4O56
94
63
1,177.06
mp-1225237
8.35442
6.625466
-5.068902
other
Ga2P4C6N4O16F2
34
63
611.62
mp-745208
7.048082
2.237231
-4.343712
other
Dy2Fe2H16C12N12O8
52
63
649.23
mp-690847
6.351016
2.053906
-4.005544
other
As4H8C8N4Cl8O4
36
64
698.18
mp-744831
8.196823
1.062788
-4.325406
other
Mn4H48C8N4Cl12O8
84
64
1,523.67
mp-1180863
8.705132
1.212658
-4.388119
other
Mn4H48C8N4Cl12O8
84
64
1,022.86
mp-1238663
8.143744
1.016956
-4.333499
other
Mn4H48C8N4Cl12O8
84
64
1,487.54
mp-1193213
-0.788017
2.393175
-3.841812
other
Cs4Hg4H4I8Br4O2
26
7
1,002.6
mp-772544
9.760999
3.651006
-8.2235
other
Na8Li4Fe4P4C4O28
52
7
606.94
mp-708992
10.306933
3.243998
-4.513191
other
Al2H40C4S4N2O28
80
7
778.89
mp-1225015
11.367067
3.820825
-4.67539
other
Fe2P2H10N2O8F2
26
7
252.27
mp-772311
9.705829
3.579181
-8.553328
other
Na10Li2Mn4P4C4O28
52
7
628.05
mp-1173840
10.222992
4.060546
-5.250058
other
Na4Ca4H24S8N4O36
80
7
866.6
mp-1229242
10.331375
3.70668
-4.685099
other
Al2H32C4S4N2O28
72
7
784.53
mp-1229335
10.211167
3.670241
-4.632682
other
Al2H32C4S4N2O28
72
7
791.16
mp-849786
9.259563
1.855869
-4.513707
other
Zn4P8H60C16N4O32
124
7
1,224.33
mp-772555
9.667613
3.547171
-8.56769
other
Na8Li4Mn4P4C4O28
52
7
618.91
mp-1193739
10.762762
3.241169
-4.497111
other
Na2P2H12N2O8F2
28
7
277.66
mp-1223712
9.695298
2.244391
-4.071443
other
K2H16W2N4O6F6
36
7
385.32
mp-554951
10.235209
3.254948
-4.547148
other
Ga2H40C4S4N2O28
80
7
804.71
mp-720244
12.965387
6.319835
-0.644273
other
Na2Ca2Mg2Al2Si8O24
40
7
523.75
mp-1256265
12.902707
6.261556
-0.631244
other
Na2Ca2Mg2Al2Si8O24
40
7
538.31
mp-559375
10.288982
4.466008
-4.994324
other
Cs4K4Te4H24S4O40
80
7
1,057.6
mp-772294
9.797862
3.640938
-8.185632
other
Na10Li2Fe4P4C4O28
52
7
615.74
mp-1217613
2.612486
2.931519
-4.327741
other
Ti4H2C2Se8Cl32O10
58
7
1,657.09
mp-772444
9.589512
3.588479
-8.689878
other
Na2Li10Mn4P4C4O28
52
7
575.98
mp-1101478
9.637341
3.704476
-8.375424
other
Na2Li10Fe4P4C4O28
52
7
568.57
mp-698271
7.660031
4.860451
-4.97062
other
Ca6Ni4H16C20S16O52
114
68
1,883.74
mp-851118
13.035549
6.165428
-0.77294
other
K2Na4Li2Zr4Si24O60
96
66
1,336.62
mp-1209382
8.344007
9.23817
1.143342
other
Sr8Ca4Cu8Bi8I2O32
62
66
1,010.37
mp-1208264
5.410213
3.446579
-3.928771
other
Tl2P2C8S8N16O8
44
66
866.4
mp-758866
8.633981
4.023009
-7.308888
other
Na4Li8Ni4C8S2O32
58
70
628.16
mp-759748
8.839711
3.754506
-7.732742
other
Na4Li8Mn4C8S2O32
58
70
661.92
mp-1199347
8.872841
1.52467
-4.487566
other
Zn6P8H56C16N4O24
114
70
1,259.88
mp-1199274
7.289177
3.54026
-4.092452
other
U4As4C8N8O16F8
48
70
717.93
mp-760207
8.672913
3.909762
-7.427512
other
Na4Li8Co4C8S2O32
58
70
639.49
mp-2227600
10.383372
10.356701
1.111656
other
Sr3Mg1Fe2Cu2Se2O5
15
71
249.92
mp-723282
5.53157
3.135782
-3.585181
other
Cs2C8S8N16O4F2
40
72
863.74
mp-1220925
10.343006
11.438182
3.246359
other
Na2Pr2Ti2Nb2O12F2
22
74
285.98
mp-1220722
7.911733
9.356824
-0.752355
other
Na2Yb2Ti2Nb2O12F2
22
74
279.57
mp-1221057
9.108527
11.006566
1.955202
other
Na2Eu2Ti2Nb2O12F2
22
74
282.39
mp-1221114
10.818682
11.101955
3.050108
other
Na2Ce2Ti2Nb2O12F2
22
74
286.09
mp-1221023
10.275562
11.48987
3.156904
other
Na2Gd2Ti2Nb2O12F2
22
74
278.88
mp-1220995
10.310694
11.469694
3.230957
other
Na2Nd2Ti2Nb2O12F2
22
74
283.98
mp-1220733
10.30395
11.522906
3.204599
other
Na2Y2Ti2Nb2O12F2
22
74
276.74
mp-2231110
12.30519
7.693002
0.357321
other
Ba2Nd2Mg1Cu2B2O10
19
75
270.69