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-1202669
13.52872
4.810284
-2.497824
other
Li4Cu2B8Pb4O20
38
15
456.96
mp-1182833
11.921337
5.31543
-5.450862
other
Fe16P16H32N8O64
136
15
1,342.01
mp-558318
12.800777
6.231988
-0.421496
other
Rb8Tb4Ga4Si16O48
80
15
1,266.04
mp-1179989
5.063246
3.039293
-3.742138
other
Pd2C8S8I4N16
38
15
815.93
mp-723043
9.934436
5.003034
-4.414858
other
K4Te2H12Se2O20
40
15
518.14
mp-1211563
11.249079
11.124994
-3.886048
other
K2Li2Er4Mo8O32
48
15
650.27
mp-1202621
12.516221
5.143034
-5.603775
other
K12B4P12H12O48
88
15
1,216.52
mp-776602
8.3755
4.46125
-7.341246
other
Na10Mn4P2C8O32
56
15
705.07
mp-1200732
8.570128
2.510602
-4.758674
other
Th2H56C24N24O36
142
15
1,416.71
mp-1200913
9.109212
7.691767
-5.477205
other
Ga4Co2P6N2O28
42
15
592.61
mp-1210812
10.975174
4.136133
-4.902566
other
Mn8Zn6H20C4O32
70
15
722.66
mp-1201957
8.940742
3.599101
-5.741566
other
Na12Fe4H40C24O68
148
15
1,690.08
mp-758221
10.202666
3.719954
-4.618889
other
Ca2H24S4N4O20
54
15
525.26
mp-1205341
9.965083
4.820131
-6.793769
other
Na4Co4S4O16F4
32
15
388.89
mp-554239
8.18124
2.416915
-2.002088
other
Na4Sb4C4O8F12
32
15
474.44
mp-1214631
9.479075
0.782297
0.829046
other
Ba4Mn2Cd2Fe4F28
40
15
579.31
mp-1210671
13.101533
7.402874
-7.201317
other
Na4Ca2Fe4P6O24
40
15
474.17
mp-630867
11.417335
11.134742
-3.819589
other
Rb2Li2Nd4Mo8O32
48
15
709.75
mp-559477
10.900254
7.305129
-0.513625
other
Rb10Li2Si4Ni2O16
34
15
624.05
mp-1195193
-4.356121
-2.652817
-4.365143
other
Ag24Sn14H32Se44N8
122
15
2,674.31
mp-1197762
10.415667
9.267662
-1.653307
other
Na4Y6Te8Cl6O24
48
15
818.94
mp-1197595
10.045576
2.460971
-3.654835
other
Cr2H40N4O12F10
68
15
589.79
mp-696483
11.682617
4.836628
-5.429663
other
Fe2P6H10N2O20
40
15
457.31
mp-1212344
11.375876
4.984233
-5.133236
other
K2Yb2P8H24O36
72
15
838.14
mp-1203196
5.656767
3.247551
-4.779544
other
H4Os6C16S4O16
46
15
827.86
mp-727093
7.755905
2.888295
-2.555938
other
Cu2C18S4N2F20
46
15
819.63
mp-738611
8.467574
1.006892
-4.507861
other
Li2As2H40C16O8
68
15
729.58
mp-1202581
9.933693
3.106855
-3.867847
other
Cs4Cr2H16Cl10O8
40
15
774.44
mp-1212163
9.030203
2.737661
-4.745089
other
Mn4H40C8N16O28
96
15
964.76
mp-1208253
7.054859
4.928693
-4.944191
other
U2C6S2N4O16
30
15
741.41
mp-1177931
10.932398
4.681728
-4.925167
other
Li4Mn4P4H24O30
66
15
661.14
mp-827710
14.103616
8.488097
-7.273244
other
Li12Mn2V6P12O48
80
15
825.13
mp-1201970
5.275189
3.02192
-3.670671
other
Hg4H4C12N4Cl12
36
15
927.11
mp-997534
13.716518
7.326857
-6.374073
other
Li6V6P12H12O48
84
15
1,009.71
mp-720718
11.751592
4.003716
-3.596348
other
Ca2Mg2B12H44O44
104
15
879
mp-1197941
12.398414
6.377656
-0.998005
other
Na4Ca2Zr4Si20O54
84
15
1,487.11
mp-6873
12.517702
6.606875
-0.361177
other
Ca2Al2Si2O8F2
16
15
178.46
mp-1203993
7.566934
9.143522
0.593333
other
K4Na4Eu8Ta4O26
46
15
712.46
mp-1182033
9.525034
5.820215
-4.035926
other
Ga4P8C12N2O28
54
15
1,080.22
mp-1379905
9.474576
1.823492
1.299016
other
Ba4V4Zn2Cu2F28
40
15
558.14
mp-1045862
9.290298
1.043136
0.917041
other
Ba4Zn2Cr4Cu2F28
40
15
555.05
mp-721301
8.282339
3.128225
-4.796866
other
H16C4S4N12O12
48
15
529.16
mp-696335
9.7217
1.350828
-0.945441
other
K8Fe4H8O4F20
44
15
632.43
mp-1195839
8.361781
1.15455
-4.435413
other
H24C8Se2N4O4
42
15
467.82
mp-1210561
13.14766
7.533922
-7.215014
other
Na4Mg2Fe4P6O24
40
15
451.27
mp-1202994
7.989069
0.413614
-4.427793
other
Al4Si4H44C12O4
68
15
854.82
mp-1204777
8.059932
1.053873
-4.489151
other
Zn4H48C24S16N8
100
15
1,451.98
mp-1195575
12.940786
7.933725
-3.783419
other
K2Na2V8H8O22
42
15
567.19
mp-1211571
11.300068
11.104258
-3.860149
other
K2Li2Dy4Mo8O32
48
15
660.57
mp-643586
9.738005
4.611348
-6.021583
other
Cs2H2S4O12F4
24
15
397.45
mp-707973
8.174402
1.492658
-4.407325
other
Cu4H88C32N40O4
168
15
1,471.69
mp-1195124
13.256949
4.937649
-1.659666
other
Ba10Zn4B8O24F4
50
15
753.87
mp-1361554
8.460072
1.324571
1.070082
other
Ba4Mg2Cu2Bi4F28
40
15
631.33
mp-698365
8.516964
2.364198
-4.728813
other
Mg8H80C32N32O48
200
15
1,936
mp-1179294
4.224947
3.007372
-3.807822
other
Te2C4S4N8Cl4
22
15
600.28
mp-1222907
8.3221
0.89273
-4.474171
other
Li2P2H44C16O8
72
15
882.1
mp-1210602
11.190063
5.829056
-2.930364
other
Na10Sr4B20C4O52
90
15
1,039.22
mp-662583
8.806995
3.454158
-7.149415
other
Ca6Ce6C12O36F6
66
15
835.72
mp-1202176
12.25154
6.576324
0.373072
other
Li2Y6Si4O16F4
32
15
390.99
mp-1198495
10.025596
3.205434
-3.775349
other
Sr2H20Pb4Br12O10
48
15
833.34
mp-1205136
8.326531
0.835171
-4.397418
other
Mn2H60C12Se8N12
94
15
1,062.6
mp-1212225
7.943086
1.952731
-4.400357
other
Ho2H24C4O8F2
40
15
459.9
mp-1185531
13.044163
5.469894
-0.682213
other
Li2Nd12B6O26F4
50
15
668.15
mp-1213921
11.266625
7.622906
-2.298024
other
Co2Bi12P4O28F4
50
15
747.11
mp-510223
10.344315
4.074489
-4.399487
other
Co2Ni2H48S4O40
96
15
882.48
mp-505401
9.870753
1.449174
-1.698991
other
K4Mn4H8O4F16
36
15
458.95
mp-1193465
6.96946
4.907684
-4.84421
other
U2C6S2N4O16
30
15
635.12
mp-764911
13.296035
8.405997
-7.806251
other
Li12Mn4V4P12O48
80
15
835.9
mp-698494
8.50812
3.401216
-5.70544
other
K4Bi2H10C10O20
46
15
599.52
mp-1204467
7.869285
0.952764
-4.524035
other
Cd2H16C8N4Cl4
34
15
443.19
mp-1196333
8.163404
1.013425
-4.482462
other
Cu2H56C20N12Cl8
98
15
1,126.46
mp-1181731
6.798468
1.77536
-3.918744
other
H16C4S4I4N8
36
15
695.51
mp-1195712
10.70367
4.95495
-3.956818
other
K8H12W4S4O18
46
15
797.8
mp-1197037
12.633252
5.626876
-1.916434
other
Ca4Al8Si8H20O42
82
15
909.33
mp-1179548
10.277336
2.48924
-3.575928
other
Si2H24N4O8F12
50
15
420.6
mp-759211
10.163899
3.805476
-4.973627
other
La4H44S12N12O46
118
15
1,256.41
mp-738609
8.547169
1.102893
-4.488067
other
Li2H40C16Br2O8
68
15
670.43
mp-555016
7.919313
3.425664
-3.572199
other
C8S24N8O16F24
80
15
1,455.9
mp-722346
10.107708
6.457719
-5.360332
other
K2Yb2P8H16O36
64
15
785.48
mp-1196107
7.806192
0.24775
-4.451151
other
Ta4P8H108C36Cl8
164
15
1,926.21
mp-1203665
-0.69957
0.87582
-3.849096
other
Cs4Ba2Ta12Br30O6
54
15
1,612.39
mp-1194850
8.817345
1.258822
-4.137043
other
Mn6As4H52S16N20
98
15
1,260.1
mp-1203082
8.453952
1.881009
-4.493174
other
H32C6S6N12O4
60
15
636.4
mp-561095
11.795504
7.338803
0.410696
other
Li2Ho6Ge4O16F4
32
15
401.9
mp-973926
8.49205
3.416756
-5.644735
other
K2Co2H6C6O12
28
15
335.1
mp-758775
9.800607
1.995894
-2.071205
other
Cs4Mn4H16O8F16
48
15
648.11
mp-1212569
8.299777
2.142363
-4.587586
other
H24C8S4N12O8
56
15
616.01
mp-1198480
8.099651
1.044108
-4.508915
other
Cu4H48C24S16N8
100
15
1,430.71
mp-1196042
9.195344
1.670424
-3.866866
other
Na4H36Pt2N12F12
66
15
772.8
mp-1380678
8.873247
1.659939
1.373739
other
Ba4Ca2Ti4Cu2F28
40
15
609.62
mp-774404
14.032195
7.941945
-6.765574
other
Li2V2P6H2O20
32
15
443.57
mp-641962
4.696884
2.752104
-3.624788
other
K4Au4C8S8N8
32
15
690.63
mp-699266
10.497449
4.156892
-5.336071
other
K8Mg4H32S8O48
100
15
1,138.46
mp-1198973
10.018077
3.179619
-3.840274
other
Sr2Sn4H20Cl12O10
48
15
761.29
mp-1211810
11.227299
11.102769
-3.879533
other
K2Li2Tm4Mo8O32
48
15
649.06
mp-1203511
7.909399
1.570448
-4.519122
other
Hg6H12Pt2N4Cl16
40
15
854.48
mp-1198352
12.470425
6.960738
-6.414244
other
Ba6Fe4P8O24F20
62
15
1,056.92
mp-24731
12.214403
7.384912
-6.724957
other
Ni6Ag2P6H4O24
42
15
434.2
mp-1201893
9.807301
5.566695
-4.900727
other
Na8Np8H16Se8O56
96
15
1,318.8
mp-1200480
9.457358
7.299334
-3.899156
other
Nd4V4H4Se8O34
54
15
756.76