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-1213925
8.117727
7.937949
-3.856051
other
Cd4Ge4P4O28
40
64
528.08
mp-1199364
8.185603
6.640424
-5.090179
other
K8U4S8O48
68
64
1,162.57
mp-755120
9.623976
13.8216
-0.497931
other
Li4Mn4Sb2O12
22
64
263.04
mp-759348
13.007572
6.564274
-0.988833
other
Li12Cr4Si24O60
100
64
1,228.75
mp-555420
10.729214
12.5032
2.103918
other
Na8Li8Ti24O56
96
64
1,088.22
mp-1212009
1.081922
1.647393
-3.984851
other
K2Zr12Mn2Cl28
44
64
1,170.13
mp-1191962
7.473039
6.468471
-3.138907
other
Cd4I4Cl4O12
24
64
453.86
mp-753064
11.332034
12.860565
0.655962
other
Li4Ti4Fe2O12
22
64
244.04
mp-1209504
-1.000733
2.943354
-3.219141
other
Rb4Cr2I4Cl4
14
64
503.65
mp-570192
-1.130549
1.806354
-2.28317
other
Cs2Zr12Mn2I28
44
64
1,658.37
mp-756493
10.938764
13.217831
-0.02305
other
Li4Cr4Sn2O12
22
64
249.24
mp-708961
10.425445
4.457431
-4.38424
other
Be4H32Se4O32
72
64
755.52
mp-1209027
9.34765
1.923463
0.827209
other
Sr8V8O4F40
60
64
854.92
mp-570966
2.539787
2.674938
-4.531585
other
Zr4P8N4Cl44
60
64
1,828.8
mp-559427
10.784881
9.064155
2.039269
other
Ba2Sr8U6O28
44
64
716.07
mp-555199
-3.47315
-1.338311
-5.538525
other
Tl4Hg4As4S12
24
64
656.12
mp-1198782
12.615806
5.819424
-1.115871
other
Ca8Al12H12O32
64
64
724.06
mp-706986
10.716105
3.065111
-4.525156
other
P8H32N8O24
72
64
737.73
mp-25243
12.064088
8.396221
-2.732728
other
Li6V4Si4O20
34
64
372.06
mp-1202691
-2.917392
-1.219186
-3.740677
other
Cu4P16Se12I4
36
64
1,008.71
mp-1203034
10.27253
3.169044
-3.930776
other
Mg2H32I4O16
54
64
699.99
mp-772545
13.513424
6.874245
-0.732376
other
Li12Ti4Si24O60
100
64
1,230.02
mp-757761
13.551831
6.951496
-0.872397
other
Li12V4Si24O60
100
64
1,221.69
mp-1194355
11.475075
9.744261
-0.511364
other
Fe6Sb4Br8O8
26
64
625.12
mp-766138
11.433794
7.695426
-7.513571
other
Li6Fe4P4O20
34
64
360.56
mp-1196776
8.22298
7.411725
-4.466015
other
U8S4N8O40
60
64
1,133.84
mp-708984
9.73638
3.354475
-4.733843
other
Na4H20C4O16
44
64
462.55
mp-1198025
5.392891
-0.500028
-3.033852
other
Li4Zn8B20H80
112
64
1,174.05
mp-1180513
7.182839
5.370564
-4.744421
other
Na4Pt2C8O32
46
64
705.88
mp-754529
12.673871
12.446771
0.737874
other
Li8Ti8V4O24
44
64
483.44
mp-554979
8.20948
14.503792
-1.057452
other
Li4Mn4Ni2O12
22
64
227.38
mp-1023132
1.22461
2.375053
-5.473358
other
K4Cu2Cl4F4
14
64
300
mp-818474
13.111419
6.722558
-1.149671
other
Na4Fe8Si24O60
96
64
1,296.99
mp-757647
13.574924
6.835114
-0.839182
other
Li8Mn8Si24O60
100
64
1,342.12
mp-754926
8.144254
14.808156
-1.017482
other
Li4Mn4Co2O12
22
64
230
mp-1211525
-1.192319
1.812393
-2.234854
other
K2Zr12B2I28
44
64
1,548.82
mp-758981
12.572476
6.667479
-1.212204
other
Li12Mn4Si24O60
100
64
1,235.94
mp-770689
8.691201
13.145441
-0.93608
other
Li4Mn2Al4O12
22
64
214.17
mp-1221344
13.084825
6.140728
-0.746308
other
Na8Zr4Si24O60
96
64
1,532.95
mp-757870
12.706531
6.573922
-1.160334
other
Li8Cu8Si24O60
100
64
1,262.53
mp-571410
-1.214541
1.814873
-2.227156
other
Cs2Zr12B2I28
44
64
1,601.13
mp-1209204
-1.228756
1.830562
-2.135022
other
Rb2Zr12C2I28
44
64
1,574.52
mp-775302
12.320647
6.887544
-1.401466
other
Li8Cr4Si24O60
96
64
1,206.34
mp-1204987
9.294853
3.465816
-5.396313
other
Ti8H24C8O40
80
64
827.23
mp-754074
12.504018
12.791032
-0.43115
other
Li4V4Sn2O12
22
64
256.03
mp-16847
-3.445692
-4.61422
0.742864
other
K12Na8Sn4P12
36
64
1,023.21
mp-850290
12.905793
6.588676
-1.16871
other
Li8Si24Ni8O60
100
64
1,295.37
mp-1211572
-1.220649
1.82835
-2.13494
other
K2Zr12C2I28
44
64
1,576.92
mp-1209678
3.011539
3.030453
-4.003263
other
Sn2Pt2N8Cl12
24
64
695.73
mp-1209676
1.096647
1.663308
-4.007284
other
Rb2Zr12Mn2Cl28
44
64
1,173.92
mp-772569
6.519416
12.344992
-1.341828
other
Li4Ni4Bi2O12
22
64
249.49
mp-18038
8.194593
10.176967
1.070444
other
K4Ba4Fe4O12
24
64
451.57
mp-554864
11.26671
10.953958
-3.703971
other
K8Ni4Mo8O32
52
64
920.88
mp-1219755
0.887141
2.203819
-5.33587
other
Rb4Cr2Br4Cl4
14
64
449.82
mp-752511
7.157501
13.385767
-1.783874
other
Li4Co4Si2O12
22
64
216.24
mp-780575
11.60443
6.949075
-1.585991
other
Na8Fe4Si24O60
96
64
1,282.06
mp-756764
11.447615
13.752419
-0.617663
other
Li4V2Cr4O12
22
64
233.48
mp-775301
12.11133
7.047031
-1.67996
other
Li4V4Si24O60
92
64
1,228.9
mp-773075
14.010021
7.771513
-0.867803
other
Li8V8Si24O60
100
64
1,340.54
mp-772312
13.835016
7.239083
-0.876911
other
Li8Fe8Si24O60
100
64
1,338.23
mp-771754
8.025099
13.083521
-1.168169
other
Li4Ni4Sb2O12
22
64
237.06
mp-1203229
9.584674
3.347891
-3.927781
other
Rb4B24H32O32
92
64
913.37
mp-755903
8.236613
14.692191
-0.967611
other
Li4Mn4Cu2O12
22
64
230.43
mp-558083
10.601467
12.335024
2.2701
other
Ba4Li8Ti24O56
92
64
1,115.99
mp-775750
10.492016
7.335722
-2.067733
other
Li4Fe4Si24O60
92
64
1,248.28
mp-1195623
3.465861
2.637403
0.838811
other
Mg2P12H8N24
46
64
450.66
mp-571638
0.88734
2.171626
-5.470413
other
Rb4Cu2Br4Cl4
14
64
443.19
mp-775303
11.527399
7.002406
-1.699017
other
Li8Fe4Si24O60
96
64
1,257.08
mp-831246
10.292288
13.106721
0.78289
other
Li8Ti8Ni4O24
44
64
475.88
mp-6027
7.361134
9.35504
0.159896
other
Ba4Tl4Cu2O12
22
64
368.04
mp-1193915
11.433013
9.300664
-0.5992
other
Mn6Sb4I8O8
26
64
746.67
mp-560345
-3.320438
-1.02409
-5.233452
other
Cs12Cu4Te4S36
56
64
1,826.84
mp-755886
9.86931
14.216974
-0.706166
other
Li4Mn2Cr4O12
22
64
226.93
mp-558619
10.720887
12.41711
2.051366
other
Li8Ti24Pb4O56
92
64
1,095.12
mp-505767
-5.138547
-6.123139
0.560943
other
K8Na4In4Sb8
24
64
840.02
mp-553990
2.052961
2.098217
1.405157
other
Ba8B4N8O2
22
64
435.83
mp-1195714
3.435591
2.630144
0.841896
other
Ca2P12H8N24
46
64
485.64
mp-776053
8.871384
15.054256
-0.115541
other
Li4Ti2Mn4O12
22
64
242.9
mp-582176
-1.240768
1.838289
-2.1343
other
Cs2Zr12C2I28
44
64
1,607.67
mp-1222196
10.583957
12.471643
-3.479706
other
Mg4V4Co2O16
26
64
298.58
mp-754419
8.9568
14.747963
-0.366272
other
Li4Mn4Sn2O12
22
64
258.51
mp-18447
-4.588357
-5.671631
0.460809
other
K12Na8Sn4As12
36
64
1,107.81
mp-1194912
10.573912
9.828252
-2.205351
other
Y4V4Te8O32
48
64
655.94
mp-753110
7.113464
14.486613
-1.375608
other
Li4Ti2Co4O12
22
64
228.98
mp-25277
11.892404
8.750902
-3.25691
other
Li6V4Ge4O20
34
64
399.44
mp-650858
5.768271
3.398064
-4.674952
other
Co24Ge8C76O76
184
64
3,092.01
mp-722003
5.983571
4.366309
-4.203257
other
C4N4Cl4O4
16
64
426
mp-754476
8.528556
14.584915
-0.789462
other
Li4Mn4Fe2O12
22
64
216.06
mp-1199646
5.384668
-0.494893
-3.033828
other
Li4Zn8B20H80
112
64
1,272.54
mp-775292
12.833778
6.830192
-1.26521
other
Li8V4Si24O60
96
64
1,210.51
mp-757742
6.464244
13.946669
-1.668999
other
Li4Fe2Co4O12
22
64
211
mp-757009
7.690554
14.232852
-1.469532
other
Li4Cr2Co4O12
22
64
211.1
mp-17707
-3.519919
-4.684019
0.712601
other
Cs12Na8Sn4P12
36
64
1,182.83
mp-9719
-3.325791
-4.398172
0.802797
other
Na8Li4Al4P8
24
64
459.59
mp-1104028
6.156242
4.15089
-3.912603
other
Hg2C4N4O4
14
64
260.03
mp-505431
-4.689117
-5.486156
0.357924
other
K8Li4In4As8
24
64
663.95
mp-1177978
9.948228
12.922791
-0.528849
other
Li4Fe4Sb2O12
22
64
250.5
mp-556844
7.997769
2.572575
-1.94882
other
C4I4Cl4F16
28
64
567.29
mp-571015
-2.961621
-1.229136
-3.73944
other
Cu4P16Se16I4
40
64
1,205.5
mp-554724
-2.665243
-0.729269
-4.594141
other
Cu4P16S12I4
36
64
987.03