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-1034860
16.852858
9.905021
6.007308
other
Mg14Zn1Si1O16
32
47
317.28
mp-1036690
16.137272
9.853656
5.246016
other
Y1Mg14Al1O16
32
47
330.64
mp-1036469
16.179379
9.816079
5.346534
other
Mg14Al1Bi1O16
32
47
336.25
mp-1035566
17.369793
9.56303
7.648956
other
Mg14Cu1Ni1O16
32
47
307.29
mp-2226886
9.151794
10.869216
-0.448202
other
Mg1Cu1Pt1O2
5
47
76.19
mp-1035993
15.952494
9.822848
5.108134
other
Y1Mg14Ti1O16
32
47
331.58
mp-1034523
16.923813
9.930431
6.130372
other
Sr1Mg14V1O16
32
47
331.67
mp-1036443
17.555386
9.691604
7.590342
other
Ca1Mg14Co1O16
32
47
319.37
mp-1033660
16.92778
9.770557
6.468144
other
Hf1Mg14C1O16
32
47
326.41
mp-1036271
17.370432
9.635203
7.330195
other
Mg14Mn1Co1O16
32
47
313.68
mp-1034162
17.015436
9.585452
6.684878
other
Rb1Mg14C1O16
32
47
341.6
mp-1034512
17.449644
9.801779
7.269605
other
Sr1Mg14Cd1O16
32
47
340.09
mp-1035635
17.308485
9.518806
7.668225
other
Mg14Co1Cu1O16
32
47
308.61
mp-1036238
16.55279
9.814429
5.824748
other
Mg14Mn1Bi1O16
32
47
341.45
mp-1034401
16.658867
9.830808
6.049431
other
Sr1Mg14Bi1O16
32
47
358.8
mp-541218
11.610301
4.437597
-4.636843
other
Gd4P8H36O40
88
52
855.01
mp-1203894
10.639646
5.222229
-4.903578
other
Ho4P8H28O40
80
52
839.73
mp-17429
8.571716
1.377349
0.889801
other
K4Hf4Pd4F28
40
52
565.88
mp-1019521
1.913606
1.786242
1.37111
other
Ba12Mg4Ge4N16
36
52
691.1
mp-707202
9.980278
4.442858
-4.365762
other
Er4P8H28O40
80
52
890.75
mp-1020662
10.442489
4.14166
-6.903042
other
Rb16B8S16O68
108
52
1,840.89
mp-13551
10.722407
9.444543
-1.200126
other
Sc8Te8O24F8
48
52
732.07
mp-540686
10.458298
4.247912
-7.180387
other
Cs4Pr4S8O32
48
52
778.55
mp-1212371
12.946906
6.252719
-1.043968
other
Mg16Si24H24O68
132
52
2,015.16
mp-1182049
10.544599
6.8898
-2.250757
other
Ca4Si12Sn4O44
64
52
912
mp-567398
2.011849
1.803566
1.417188
other
Sr12Mg4Ge4N16
36
52
592.04
mp-1203884
9.103825
1.453793
-3.940178
other
Ag4H48N16F4
72
52
673.92
mp-772533
8.785028
8.131834
-5.042173
other
Fe8P8O32F8
56
52
879.67
mp-18109
10.594582
4.255949
-7.117855
other
Rb4Dy4S8O32
48
52
694.98
mp-23970
11.645303
4.472086
-4.60398
other
Nd4P8H36O40
88
52
879.98
mp-1200491
9.413798
7.447475
-4.777454
other
K8Al8P8O40
64
52
830.67
mp-707992
11.649972
4.799963
-4.895107
other
Dy4P8H36O40
88
52
912.49
mp-14985
8.539704
1.413682
0.828353
other
K4Zr4Pd4F28
40
52
616.89
mp-557687
8.541865
3.199668
-5.824539
other
Tl4H4C4O8
20
52
346.7
mp-1201281
9.965358
10.508672
-3.792184
other
Cs4Np4Mo4O28
40
52
816.82
mp-559607
13.938384
6.144351
-6.493508
other
Ti8Tl8P8O40
64
52
917.95
mp-557654
7.860282
10.015075
-3.616534
other
Rb4Cr8Bi4O32
48
52
795.87
mp-24560
12.715963
4.173266
-2.952617
other
Li8B16H24O40
88
52
817.99
mp-554835
9.175741
1.993399
1.548392
other
K4Zr4V4F28
40
52
606.34
mp-559757
7.69444
9.632784
1.222585
other
Ba6Cu4Cl4O8
22
51
432.32
mp-1189615
-5.545606
-3.490101
-1.103553
other
Cs2Zr2U2Te10
16
51
577.73
mp-560067
-1.055303
1.11907
-4.925312
other
Ag4Hg4S4Br4
16
51
456.93
mp-555258
7.426713
10.588097
1.023807
other
Ba24Na8Ru16O72
120
51
1,795.53
mp-672253
-1.098403
0.981908
-5.392453
other
Cu4Hg4S4Cl4
16
51
375.84
mp-567720
-1.241173
0.890273
-4.895142
other
Cu4Hg4Se4Br4
16
51
438.22
mp-1191524
11.418815
4.901628
-5.442441
other
Cu2P4H8O8
22
51
269.05
mp-1213455
1.25629
1.71789
-4.258062
other
Cs4Zr24C4Cl60
92
51
2,677.86
mp-1147565
9.110002
7.615263
-1.909695
other
Cu4Pb8Br8O8
28
51
747.08
mp-1283966
6.936369
10.881998
0.861407
other
Sr8Ni4Cl4O12
28
51
444.6
mp-1211782
1.130389
1.561014
-4.145444
other
K4Zr24N4Cl60
92
51
2,542.58
mp-567966
1.235047
1.705028
-4.226956
other
Rb4Zr24C4Cl60
92
51
2,683.18
mp-1202126
2.831161
3.010765
-3.968365
other
Hg6N8Cl20O4
38
51
1,269.82
mp-722896
12.839502
6.771876
-0.788505
other
Mg14Si8H4O32
58
51
559.23
mp-1213919
-8.098328
-5.159744
4.294114
other
Ce2Mg2In6Rh2
12
51
272.1
mp-643754
8.227715
0.99683
-4.503321
other
Hg2H4N2Cl2
10
51
156.12
mp-1182461
6.36068
11.283628
0.766302
other
Ba4Ho4Co8O22
38
51
469.7
mp-1211876
1.244226
1.737117
-4.126228
other
K4Hf24C4Cl60
92
51
2,522.58
mp-1178120
11.117003
9.812643
3.591046
other
La2Ti2N2O4
10
51
124.57
mp-554027
-0.501648
0.697423
-2.046259
other
Y14C6I12O2
34
51
1,008.54
mp-559528
7.148828
11.955467
1.868549
other
Ba2Tb2Mn4O12
20
51
241.77
mp-1208770
10.224286
10.636272
2.619425
other
Sr6Li12Nb4O22
44
51
515.55
mp-2236509
9.380979
11.011895
1.330397
other
Ba2Nd2Fe4O10
18
51
253.35
mp-1182125
7.15099
11.055943
1.32036
other
Ba2Y2Co4O10
18
51
235.28
mp-1209995
1.276257
1.799274
-4.332826
other
Rb4Zr24B4Cl60
92
51
2,701.66
mp-697451
11.543805
4.729988
-5.395221
other
Zn2P4H8O8
22
51
269.62
mp-1212978
14.419191
6.091609
-6.186142
other
K14Nb28P18O120
180
51
2,578.56
mp-558446
-0.976372
1.750948
-4.460391
original
Ag4Hg4S4I4
16
51
471.6
mp-25731
6.392002
11.311234
0.799652
other
Ba4Ho4Co8O22
38
51
468.25
mp-542205
9.636647
11.032291
1.205847
other
Ba2Y2Fe4O10
18
51
243.15
mp-569454
-0.06835
1.309499
-4.332625
other
Cd4Hg4As4Br4
16
51
542.93
mp-617298
-5.615726
-3.369375
-1.216841
other
Cs2U2Ti2Te10
16
51
548.25
mp-1213477
1.254743
1.757126
-4.162083
other
Cs4Hf24C4Cl60
92
51
2,612.04
mp-1208758
10.099991
10.583119
2.846439
other
Sr6Li12Ta4O22
44
51
529.44
mp-555267
-1.439061
0.930739
-5.096812
other
Cu4Hg4S4Br4
16
51
397.77
mp-570066
1.24071
1.689635
-4.206341
other
K4Zr24C4Cl60
92
51
2,646.62
mp-1247667
6.959963
12.124955
1.479531
other
Sr2Ca6Mn8O22
38
51
459.5
mp-1180504
9.998166
3.037635
-3.942902
other
Li2H4I2O2
10
51
159.01
mp-24971
9.614744
10.985602
1.253818
other
Ba2Dy2Fe4O10
18
51
244.27
mp-2647049
-1.301184
3.007374
-3.098695
other
Cs4Sb4S4I8
20
51
826.75
mp-23875
9.894824
3.043195
-3.904171
other
Cu2H8Cl4O4
18
53
234.31
mp-556631
8.710065
1.703739
1.336096
other
K4Zr4Sn4F28
40
53
655.34
mp-1278734
11.774085
11.083801
0.588161
other
Sr4V2Mo2O12
20
53
256.19
mp-1223619
9.256232
7.180609
-3.074426
other
Mg4Al4Si16O60
84
53
1,256.97
mp-541373
10.761108
11.868074
2.929257
other
K4Ta12Cu4O36
56
53
708.11
mp-1214160
12.32382
6.712453
-0.815333
other
Ca4Al2Si8O24
38
53
479.86
mp-1203192
9.387287
7.068027
-3.710886
other
Ga8Cu4Se12O40
64
53
883.52
mp-15728
12.969802
6.351532
-6.519017
other
Mg8Ag8P24O72
112
54
1,566.01
mp-558536
-3.974719
-1.513433
-5.51556
other
Rb4Cd4Au4S8
20
54
575.95
mp-555275
-4.66204
-1.689053
-2.554681
other
Nb4Te28Br20O4
56
54
1,909.65
mp-651434
11.782317
11.094328
-3.361039
other
K16Mn16Mo24O96
152
54
2,495.47
mp-1200865
9.314026
3.54174
-5.331207
other
Cu4H24C8O28
64
54
654.02
mp-601182
8.865105
3.333128
-5.47855
other
V4H16C8O24
52
54
551.33
mp-1194554
4.974571
4.647914
-4.277079
other
Cs4Mn4Cl12O8
28
54
808.51
mp-557716
12.551839
7.234803
-7.081278
other
Na8Ni8P24O72
112
54
1,498.79
mp-1193478
4.903014
4.582302
-4.286743
other
Rb4Mn4Cl12O8
28
54
729.44
mp-1213893
12.69125
7.327872
-6.675966
other
Co8Ag8P24O72
112
54
1,560.25
mp-14260
12.889625
6.625098
-6.325978
other
Zn8Ag8P24O72
112
54
1,567.51
mp-1213628
5.764006
5.25426
-3.915451
other
Cs4Mn4Br12O8
28
54
884.54
mp-641710
9.071093
11.636332
-1.218346
other
Cu40Si8Sb16O96
160
54
1,774.81
mp-1210398
12.47692
7.280179
-6.639865
other
Ni8Ag8P24O72
112
54
1,535.19