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-771823
10.612498
12.167185
-3.141845
other
Li4V4Ni4O16
28
62
309.23
mp-1199855
10.863146
9.104828
-1.067468
other
Zn4Sb8Cl8O12
32
62
622.24
mp-6446
13.296759
4.685667
-1.336338
other
Ba12La8B16O48
84
62
1,215.33
mp-1179941
3.299501
3.552802
-4.147206
other
Na4Hg4Cl12O8
28
62
686.78
mp-6569
6.330575
5.094394
-4.467693
other
K12Hg4N20O44
80
62
1,324.93
mp-567820
-4.518314
-5.634312
0.508112
other
K24Nb4Tl4As16
48
62
1,581.35
mp-1213321
11.328429
10.963647
-3.863488
other
Cs4In4Mo8O32
48
62
853.46
mp-6684
12.878992
5.70342
-6.274866
other
Na4Cd4P4O16
28
62
373.38
mp-1203584
-4.56753
-3.280556
-3.720487
other
Ba8Ga4Bi4Se20
36
62
1,127.51
mp-561325
9.502054
12.31142
-1.061292
other
Na12Mn16Te8O48
84
62
1,008.53
mp-756511
13.512371
7.380235
-3.320217
other
Li4V4B4O16
28
62
266.44
mp-1227525
6.516611
11.154176
0.643492
other
Ca4La8Fe12O36
60
62
725.05
mp-560739
10.124346
9.112575
-0.163918
other
K12Li12Te4O24
52
62
708.25
mp-13680
9.251823
1.308667
0.162387
other
Ba4B4O4F12
24
62
337.07
mp-557807
8.398652
8.47751
-0.049748
other
Cs4K8Au4O8
24
62
603.6
mp-1210115
13.506269
5.306419
-6.230737
other
Na4Sr4P4O16
28
62
383.17
mp-1215133
8.464993
10.271192
1.52798
other
Ba20Ga4Ru8O44
76
62
1,264.76
mp-1210913
11.737595
7.847264
-1.535486
other
Li8Ni4Ge4O16
32
62
359.93
mp-21600
12.220462
7.129488
-2.78203
other
Nb4Ni8B4O24
40
62
404.99
mp-1189172
12.440124
4.720902
-2.915971
other
Mg4H4O4F4
16
62
151.01
mp-555798
12.168782
8.147559
-5.078115
other
V4Hg16P8O36
64
62
1,130.76
mp-1212178
10.348839
4.180076
-5.089909
other
In4H36S8O48
96
62
1,067.33
mp-669421
13.506219
7.555171
-0.761869
other
Al4Tl4Si4O16
28
62
375.28
mp-758247
12.827712
7.381223
-1.109928
other
Li12Cr4Si8O28
52
62
556.91
mp-753733
8.733418
14.395092
-0.122143
other
Li8Mn4O8F4
24
62
235.62
mp-1196826
10.436317
4.368556
-7.315827
other
Cs4Nb4S8O36
52
62
903.46
mp-1192526
-2.578305
-0.746161
-5.303021
other
Cs4Ba4P4S16
28
62
852.9
mp-23876
9.940971
2.552081
-4.479198
other
H32S4N8O16
60
62
510.73
mp-1222485
9.071592
13.613892
-0.349726
other
Li4Ti4Fe4O16
28
62
286.17
mp-746071
14.422643
7.63607
-5.281218
other
K4Fe4P4O16
28
62
381.24
mp-757878
9.495195
9.191332
-0.033746
other
Na20Cu4H8O16
48
62
655.24
mp-1041006
13.941486
8.873694
-2.726326
other
Ca4P8W8O36
56
62
763.67
mp-510659
10.59628
12.072968
-3.648334
other
V4Cu4Ag4O16
28
62
350.16
mp-770550
7.88438
12.308566
-1.45725
other
Li8Al4Co4O16
32
62
354.89
mp-1210978
11.590246
11.161079
-3.802906
other
Lu4Tl4Mo8O32
48
62
836.37
mp-778119
10.125344
2.351476
2.235405
other
Li4Fe8O4F12
28
62
333.37
mp-616557
5.703565
4.710954
-4.208948
other
Co4I4N8O8
24
62
534.6
mp-558484
10.630179
9.534269
-2.201006
other
Nd8Te12Mo4O48
72
62
1,125.02
mp-1043472
10.714255
8.699079
-6.03042
other
Ni4Mo4P8O36
52
62
724.79
mp-696903
8.360831
6.306522
-5.123913
other
Mn4H16S8O48
76
62
972.38
mp-1019381
12.563635
6.860965
-0.27957
other
Al28Si12B4O72
116
62
1,152.62
mp-18885
10.911092
8.018079
3.007386
other
La4Cr4S8O4
20
62
362.09
mp-772570
4.712245
4.446687
-4.304979
other
Co4N4Cl16O12
36
62
982.45
mp-15395
13.020832
5.49566
-6.212739
other
Cs4Be4P4O16
28
62
411.26
mp-776295
12.98528
7.594764
-7.203501
other
Li4Co4P4O16
28
62
287.54
mp-10837
8.682418
0.870497
1.191965
other
Na8Mg4In4F28
44
62
608.38
mp-680421
-2.741158
-3.422188
-4.132428
other
Ce24S16Br4N12
56
62
1,232.47
mp-1195458
7.663653
0.518008
-4.050122
other
Y4B12H96N16
128
62
1,093.18
mp-1181279
2.989711
3.133033
-4.151872
other
Ir4Pt4N20Cl20
48
62
1,206.88
mp-1044825
12.46417
6.477841
-5.455625
other
Ca4Bi8P8O36
56
62
829.7
mp-554249
9.423006
8.199749
-0.603594
other
Bi24Cl12O28F4
68
62
1,244.74
mp-605821
-2.302919
-2.946798
-4.817807
other
Nd12Se4Br4N8
28
62
707.64
mp-505314
7.590116
12.015157
1.466323
other
Ca8Mn4Fe4O20
36
62
465.11
mp-1213658
-1.034805
1.155777
-1.694904
other
Cs4Pr24Fe4I40
72
62
3,113.98
mp-1215834
-2.845387
-2.633253
-5.710292
other
Yb4Sm8Cu4S20
36
62
757.48
mp-863024
-3.362546
-1.43854
-5.388422
other
Rb4Ba4Ta4S16
28
62
851.73
mp-1020109
13.45713
5.939895
-6.59101
other
Li4Mg12P12O44
72
62
825.65
mp-638150
-2.448928
-0.574686
-5.416647
other
K4P4Pb4S16
28
62
754.07
mp-1179379
8.340331
2.566236
-1.246282
other
W4N8O8F32
52
62
840.4
mp-1209539
1.655167
2.819258
-5.59164
other
Rb12Ir4Cl24O4
44
62
1,278.71
mp-558681
8.402389
2.387062
-1.352831
other
P8Cl8O8F16
40
62
720.68
mp-6280
12.523731
6.792297
-0.599965
other
Al8Si4O16F8
36
62
355.61
mp-554475
10.74451
11.436107
3.171264
other
La4Nb8Cl4O24
40
62
622.43
mp-20028
12.702295
5.687811
-2.993613
other
Fe4B4Pb4O16
28
62
352.21
mp-1194706
10.346037
9.237365
-1.848523
other
Rb4Y4Te8O24
40
62
758.45
mp-726672
1.664595
2.541544
-5.547668
other
K8Sn4Cl16O4
32
62
883.91
mp-760911
13.337296
8.751174
-7.174044
other
Na4V4P4O20
32
62
378.68
mp-24565
9.862994
3.464738
-3.791156
other
Ba4H4Cl4O4
16
62
313.23
mp-1020611
13.217673
4.998293
-2.058918
other
Sr4Ge8B8O32
52
62
635.6
mp-1202913
8.841398
1.294123
-4.083913
other
Ga4H60N20Cl12
96
62
938.8
mp-643790
2.555903
-0.514488
-1.6505
other
Ce4Ni4Sn4H4
16
62
262.44
mp-1214104
7.35269
8.525303
-0.40385
other
Ca8Pr4Be4O20
36
62
444.1
mp-1013922
11.546417
8.290416
-7.560938
other
Li4Cr8P8O36
56
62
668.7
mp-757017
12.573879
6.817334
-1.244937
other
Li12Mn4Si24O60
100
62
1,165.32
mp-1213999
12.124415
7.540868
-1.350872
other
Ca4Co4Ge4O16
28
62
372.98
mp-556461
-3.095809
-1.075632
-5.392668
other
Ba24V16S44O20
104
62
2,556.64
mp-560884
2.197966
2.710015
-4.280219
other
Ta4S4Cl28O4
40
62
1,260.37
mp-23740
13.27329
5.554797
-6.210135
other
Mg8P4H4O20
36
62
371.85
mp-541277
-3.280378
-2.03164
-5.510008
other
Ca4Yb4In4S16
28
62
750.39
mp-18084
9.469175
8.512696
2.8813
other
Ba4Tb8Zn4O20
36
62
518.54
mp-726900
1.586396
2.703065
-5.712334
other
Cs8Tl4Cl20O4
36
62
1,286.59
mp-1209206
9.511147
1.513923
1.114036
other
Rb4V4Cu4F24
36
62
558.64
mp-1201627
8.102777
1.69242
-4.277341
other
Rb4H16C4N12
36
62
383.74
mp-1239204
-4.881759
-0.482685
-5.521003
other
Hf4Cr4Cu4S16
28
62
529.99
mp-1013762
14.475272
7.584332
-5.366558
other
Li4Ti8P8O36
56
62
688.85
mp-17394
11.694969
7.354697
0.178601
other
Na4Y4Ge4O16
28
62
401.53
mp-1219631
10.736666
11.616529
2.962973
other
Rb4Ta4Ti4O20
32
62
486.02
mp-1044937
14.549337
8.083809
-3.99903
other
Mg4Ti8P8O36
56
62
680.57
mp-554745
11.347508
7.130415
-3.952147
other
Cr4P8Pb20O52
84
62
1,384.39
mp-729312
-0.268054
1.308697
-4.434912
other
K8In4Br20O4
36
62
1,193.42
mp-1202208
-0.054482
1.700342
-4.630273
other
Rb8Pt4Br16O4
32
62
1,109.97
mp-557303
6.20601
5.00799
-4.576791
other
Ag8N4Cl4O12
28
62
444.64
mp-758067
10.041941
8.335485
-6.98175
other
Li8Co8P8O36
60
62
649.34
mp-6668
13.761956
6.514243
-6.84644
other
Li4Ti4P4O20
32
62
337.34
mp-1211894
1.266196
2.351383
-5.69332
other
K8Sn4H4Cl16
32
62
922.29
mp-1203421
8.333458
1.35289
1.147278
other
K20Hf12O4F68
104
62
1,764.23
mp-723984
1.678417
2.816379
-5.29855
other
Rb8In4Cl20O4
36
62
1,039.7
mp-758466
13.170096
8.301322
-7.712316
other
Li16V4P8O36
64
62
966.71
mp-642448
-4.219063
-3.814761
-3.57742
other
Ce8In4Cu4Se20
36
62
860.89
mp-26095
13.39695
7.311903
-7.187053
other
Li8Mn4P16O48
76
62
930.03