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-559551
-4.362031
-1.61694
-5.387298
other
Cu16Bi16S36
68
62
1,469.96
mp-12271
9.613976
6.860327
-3.480273
other
Mg4Se4O12
20
62
227.01
mp-1188249
-4.689657
1.33625
3.461251
other
Tm4B8Os4
16
62
195.17
mp-1194651
-4.041684
-3.937958
-3.39412
other
Ce8Zr4Se20
32
62
786.17
mp-1213826
9.503358
10.362755
1.253013
other
Ce4Rh4O12
20
62
251.99
mp-1101753
-5.884825
-1.786898
1.921405
other
Zr4P4Rh4
12
62
183.52
mp-1103066
-5.509325
-4.293774
5.288632
other
Sm4Si4Pd4
12
62
237.94
mp-23404
6.850357
6.067552
-3.167342
other
Tl4Br4O16
24
62
465.03
mp-1095684
-7.608159
-5.986238
3.35189
other
Sr4In4Pd4
12
62
299.79
mp-7405
10.691597
8.495456
2.429362
other
Sm4Al4O12
20
62
208.42
mp-1102246
-3.65217
-3.453664
-3.771498
other
La4Se4Cl4
12
62
304.9
mp-29103
-0.397559
1.11317
-4.689929
other
Cs4Al4Br16
24
62
928.24
mp-505495
3.654297
2.696836
0.650691
other
K4P16N28
48
62
562.16
mp-1212466
-5.333523
-2.676281
3.0059
other
Hf20Co4P12
36
62
614.75
mp-1213448
-6.809774
-4.141586
5.258706
other
Gd8Sc12Ge16
36
62
776.76
mp-755213
8.245022
4.727995
-6.583611
original
Yb4C4O12
20
62
220.11
mp-1246426
4.94838
2.281726
-3.065218
other
Ge4C4N8
16
62
285.22
mp-22489
-5.505795
-3.50402
4.906232
other
Hf4Cu4Si4
12
62
179.1
mp-756282
12.115955
11.121189
0.211298
other
V4Bi4O12
20
62
238.85
mp-567664
-7.934424
-3.895031
3.14236
other
Ce8Ge16Pt28
52
62
958.21
mp-21524
1.40223
1.921553
1.41536
other
Sr12Ni12N12
36
62
624.91
mp-1016152
8.5516
14.80118
-0.24644
other
Na4Mn4O8
16
62
190.03
mp-18612
-4.069175
-0.730147
-4.895573
other
Rb8Mo4S16
28
62
864.07
mp-569952
1.298386
2.493702
-5.84707
other
K8Cu4Cl12
24
62
615.91
mp-1194276
-2.609303
-2.707992
-5.667082
other
Ca4Ho8S16
28
62
655.32
mp-1208643
-3.282754
-1.718967
-5.303485
other
Sr4Hf4S12
20
62
464.28
mp-1102115
-7.273451
-1.183744
3.055334
other
Co4Si4Ni4
12
62
130.46
mp-1173486
13.577682
4.780241
-1.334518
other
Sm4B4O12
20
62
258.81
mp-567459
4.677639
2.342374
-3.240484
other
Ag4C8N12
24
62
382.62
mp-766540
-3.674138
-1.113141
-5.673531
other
Li16Ti4S16
36
62
681.14
mp-865865
-2.628417
-2.788561
-5.558491
other
Yb4Er8S16
28
62
648.85
mp-31118
10.304585
8.489402
3.14615
other
Sm4Sc4O12
20
62
254.96
mp-1208351
-5.19725
0.7777
3.209186
other
Tb4B28Mo12
44
62
439.73
mp-4434
10.979357
8.366155
2.205331
other
Tb4Al4O12
20
62
203.67
mp-1197207
-6.233714
-0.798205
3.745996
other
Mn32Si32Mo12
76
62
941.16
mp-16919
-2.742922
-2.600508
-5.600625
other
Y8Hf4S20
32
62
646.2
mp-1212101
-6.729084
-3.305454
1.087121
other
Ho4Sb4Ir4
12
62
251.53
mp-1019534
12.405168
7.269195
0.937177
other
Ba4Al16O28
48
62
676.75
mp-1096938
10.507771
10.775258
-2.481358
other
Cs8Re4O16
28
62
679.74
mp-1280023
13.100631
12.1209
-0.195983
other
Al4V8O16
28
62
298.28
mp-28281
8.345514
0.978493
-4.299599
other
H16I12N4
32
62
700.25
mp-1178703
2.856582
2.937522
-3.927763
other
Zn4N8Cl16
28
62
1,032.86
mp-29070
-0.058782
0.500022
-3.182891
other
La20C8Br36
64
62
1,907.44
mp-641924
-3.810823
-2.063759
-5.232866
other
Bi8Pb4S16
28
62
722.02
mp-770218
10.117668
9.034472
0.173073
other
Zn4In8O16
28
62
376.4
mp-10339
12.218621
10.176993
2.332827
other
Sr4Nb4O12
20
62
266.95
mp-607044
-3.955188
-4.226129
-3.69456
other
Eu4Sc8Se16
28
62
595.01
mp-5788
11.630087
8.948332
1.940957
other
Na4U4O12
20
62
280.3
mp-23013
2.419843
2.854897
-4.405941
other
U4Cl8O8
20
62
425.25
mp-1232040
-4.226427
-4.155746
-3.812854
other
La8Mg4Se16
28
62
854.29
mp-568134
-1.258885
3.127622
-2.973445
other
Cs8Cd4I16
28
62
1,431.94
mp-3352
-6.707556
-4.146419
4.17733
other
Er4Si4Pd8
16
62
275.15
mp-29288
-1.11843
2.771676
-2.985785
other
Tl4Ge4I12
20
62
768.29
mp-1188346
8.667459
11.755229
-0.618943
other
Co4Bi4O12
20
62
225.49
mp-1208626
7.298847
10.591049
0.336102
other
Sr4Rh4O12
20
62
243.55
mp-504909
-6.453777
-1.612571
1.229732
other
Ni8Sn4P4
16
62
232.37
mp-732278
5.491643
2.957232
-3.660121
other
C4S4N8
16
62
257.14
mp-505025
11.159943
8.747061
2.627862
other
Ba4Pu4O12
20
62
338.39
mp-29355
8.436577
1.795826
-0.42264
other
Na4Te4F20
28
62
417.83
mp-504142
10.531634
7.954484
-6.887871
other
Fe4P16O48
68
62
901.51
mp-23020
-1.43052
1.028703
-3.625878
other
Bi4Se4I4
12
62
435.59
mp-21153
-8.085355
-3.049512
4.633695
other
Er4Ge4Ir4
12
62
218.44
mp-13271
-6.118516
-3.825495
0.669504
other
Er4As4Pd4
12
62
224.88
mp-768865
11.552975
7.652175
0.858415
other
Lu8Ge4O20
32
62
403.77
mp-1208606
8.828689
10.631018
1.916266
other
Tb8Ru4O20
32
62
454.46
mp-579779
-3.857502
-4.003602
0.903717
other
Pr8P12Au4
24
62
537.23
mp-1190482
3.174783
2.943612
-4.074934
other
Mn4N4Cl12
20
62
437.27
mp-21461
6.375641
8.656235
-0.904882
other
Rb8Pb4O12
24
62
489.77
mp-1232364
-2.656216
-2.638951
-5.627134
other
La8Mg4S16
28
62
715.28
mp-15931
-3.857118
-1.759173
-5.636322
other
Nd4Cr4S12
20
62
385.82
mp-510490
-2.646824
-2.715192
-5.5683
other
Gd4Sc4S12
20
62
431.91
mp-866648
-4.980861
-4.665702
0.222535
other
La4Zn12As12
28
62
598.12
mp-1218263
-5.932966
-1.598431
4.493954
other
Ta16Cr28Si32
76
62
1,011.33
mp-640052
-0.437181
1.526232
-4.839958
other
Cs8Ag4Br12
24
62
954.84
mp-685613
-4.649589
-5.466451
1.771733
other
Ba8P4Pd8
20
62
528.72
mp-1207514
-4.928907
-3.775429
0.854649
other
Yb4P4Pd4
12
62
216.1
mp-641010
-5.600259
-3.776326
-1.803744
other
La16Te12N8
36
62
1,044.54
mp-1192780
11.468285
12.650271
-0.153613
other
Cr8Fe4O16
28
62
303.4
mp-1247260
-6.075858
-3.141692
-2.110189
other
Ga16Te12N8
36
62
866.99
mp-28545
9.206233
8.860282
0.171576
other
Rb4Li4O4
12
62
202.61
mp-1213006
-2.442017
0.54137
2.529188
other
Er8Os4C8
20
62
312.13
mp-1200877
-6.175538
-0.422462
1.987513
other
Ho4Fe20P12
36
62
442.92
mp-1103109
-8.134962
-4.443651
3.910605
other
La4Al4Pt4
12
62
260.58
mp-1102611
-3.114708
-2.739252
-4.655796
other
Yb4As4S4
12
62
286.91
mp-31387
-8.724234
-5.236903
3.957814
other
Er4Ga4Pd4
12
62
228.75
mp-756460
11.40592
8.279218
-0.82255
other
Ga8Hg4O16
28
62
365.56
mp-680500
8.323192
2.292407
-0.841479
other
Pt4Xe4F44
52
62
831.06
mp-1189925
-4.713052
1.371006
3.432945
other
Ho4B8Os4
16
62
196.71
mp-1200409
-4.109397
-3.911997
-3.607692
other
La8Zr4Se20
32
62
804.51
mp-1196528
-6.538767
-3.200886
0.942923
other
Ce8Sb16Ir12
36
62
816.9
mp-11944
-6.395924
-5.829431
4.149802
other
Li4Yb4Ge8
16
62
331.1
mp-1095572
-9.04842
-6.086736
3.452374
other
Tb4Al4Au4
12
62
249.35
mp-504165
8.814604
7.913217
-5.382429
other
Ni4P4O16
24
62
274.68
mp-1195324
10.244678
9.784852
3.17309
other
Pr8Ti4O20
32
62
484.33
mp-21523
-8.524368
-6.192644
3.025876
other
La4In16Au8
28
62
658.1
mp-1214716
-7.091667
-4.763204
5.106922
other
Ce20Ge8Ir4
32
62
826.52
mp-1207683
-5.490807
-2.60276
6.043883
other
Tm4Mn4Si4
12
62
210.42
mp-582794
10.767309
10.53313
3.131686
other
Nd12Ti16O48
76
62
936.7
mp-4473
-5.075711
-3.21071
-4.280702
other
Ba4Cu8Se8
20
62
436.43
mp-22564
8.038175
11.68072
2.106797
other
Pr4Mn4O12
20
62
237.74