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-1246829
2.020837
2.19623
1.530899
other
Zn28Sn4N24
56
60
816.89
mp-29309
3.726269
-0.631266
-2.6461
other
Si16H48S8
72
60
1,077.92
mp-772720
7.611842
10.15129
-3.779812
other
Cr12Co8O48
68
60
1,017.3
mp-763199
10.623204
-0.028686
0.282554
other
Li4Mn4F16
24
60
282.36
mp-765473
10.251876
9.36287
-2.156545
other
Co4Te8O20
32
60
452.24
mp-8898
11.139298
11.30446
2.231523
other
Ta4Al4O16
24
60
240.35
mp-766352
-1.216809
1.930574
-1.765044
other
Ba4Ca8I24
36
60
1,678.65
mp-27622
9.21045
8.630005
-0.011738
other
Na16Pb8O16
40
60
685.02
mp-1246932
1.50247
1.770224
1.327105
other
Ba28Hf4N24
56
60
1,361.75
mp-1196540
8.33505
8.115891
-4.667899
other
Fe12P8O44
64
60
736.1
mp-1180571
11.887862
11.814459
1.99752
other
Nb8Fe4O24
36
60
465.1
mp-1246561
1.998041
2.498021
1.28478
other
Si4Pb28N24
56
60
1,170.83
mp-19521
10.968247
10.686316
-4.153032
other
Al8Mo12O48
68
60
1,026.22
mp-1246024
1.650412
1.713383
1.461121
other
Sr28Hf4N24
56
60
1,159.99
mp-5026
12.823898
6.649984
-0.664957
other
Mg8Si8O24
40
60
428.86
mp-867980
7.782793
5.511152
-5.065509
other
K16S40O60
116
60
2,351.75
mp-772863
11.722158
7.239292
-0.868167
other
Na8Ge8O20
36
60
548.58
mp-555711
9.035538
2.169861
-4.617604
other
H40C20O20
80
60
630.82
mp-769016
6.846004
6.063468
-3.273865
other
Pb4Br8O24
36
60
596.13
mp-885579
10.746359
12.440989
-0.179161
other
Ta8Co16O36
60
60
675.69
mp-1201396
8.798656
1.755051
1.505237
other
K32Ti16F80
128
60
2,084.27
mp-17765
10.954013
11.858399
2.703745
other
Ta8Zn4O24
36
60
408.97
mp-3374
8.45779
9.832116
1.714852
other
Nd16Au8O36
60
60
882.64
mp-1201868
-2.690356
-2.646961
-5.727186
other
Pr16As8S36
60
60
1,490.13
mp-1246283
1.531134
1.780429
1.418235
other
Ca28Co4N24
56
60
876.25
mp-25988
13.606484
8.067399
-5.914433
other
Mo4P16O48
68
60
1,042.5
mp-727078
7.075428
4.065878
-5.193273
other
U4C16O28
48
60
740.5
mp-3629
11.695826
11.17197
-2.531847
other
Y8W12O48
68
60
1,551.38
mp-727389
8.281155
6.383266
-4.405407
other
Na4Si8O32
44
60
677.53
mp-559434
13.968118
4.237765
-2.097407
other
Tb4B12O24
40
60
401.69
mp-1194970
11.344449
7.431099
-3.810588
other
K8As8O24
40
60
642.39
mp-781615
9.849178
12.693308
-0.814847
other
Hf4Cr4O16
24
60
270.21
mp-778510
10.221857
0.469973
0.170566
other
Li4Fe4F16
24
60
255.4
mp-1197699
6.254055
5.577174
-3.786352
other
Pt8Cl32O28
68
60
1,487.87
mp-753969
10.2656
2.672166
1.706474
other
Li4V4F16
24
60
254.67
mp-995204
7.70932
1.53064
-4.339502
other
H16C24O4
44
60
442.58
mp-1212394
9.008311
0.931938
1.124517
other
K32Cr16F80
128
60
2,013.39
mp-16160
8.337957
9.928476
1.711883
other
Sm16Au8O36
60
60
848.52
mp-645545
11.935619
11.684608
2.073676
other
Nb8Fe4O24
36
60
492.91
mp-1246839
1.859825
1.865209
1.187576
other
Ca28S4N24
56
60
964.12
mp-18973
9.176003
7.240954
-3.464978
other
Co4Se8O20
32
60
427.02
mp-504291
9.437491
8.054771
-5.879906
other
Cr8P12O48
68
60
884.4
mp-4274
9.821048
9.704755
-1.567487
other
Sr4Te4O16
24
60
369.74
mp-17101
10.772881
11.575577
2.889447
other
Ca4Nb8O24
36
60
461.45
mp-766340
-1.274683
1.917919
-1.618461
other
Ba8Ca4I24
36
60
1,853.54
mp-1198348
10.521054
4.310529
-7.159028
other
Ca8S8O28
44
60
623.66
mp-1245379
1.561967
1.771923
1.433438
other
Sr28Ir4N24
56
60
1,132.2
mp-554807
10.483503
9.326466
2.810637
other
Er40W8O84
132
60
1,774.55
mp-778057
10.118493
9.028934
0.264938
other
Na16Sn8O16
40
60
649.04
mp-1203687
6.786273
6.06237
-3.88877
other
Na16Xe4O56
76
60
1,426.32
mp-728458
7.768358
6.293032
-4.238811
other
Ca8As8O40
56
60
798.69
mp-556220
10.086985
9.767354
2.74714
other
Y40W8O84
132
60
1,836.02
mp-7280
-2.951346
-0.694116
-4.853474
other
P8Pd8S8
24
60
448.83
mp-772660
11.254139
12.568163
0.792551
other
Nb4Cr4O16
24
60
257.83
mp-778104
11.965966
12.033122
-2.233694
other
Na8V8O20
36
60
601.15
mp-1199742
12.999392
10.639813
-0.266811
other
La8Mo64O112
184
60
2,556.68
mp-22124
8.721363
12.436143
-1.701283
other
Fe8W4O24
36
60
398.1
mp-772631
7.716589
10.478574
-3.769219
other
Mn8Cr12O48
68
60
1,028.57
mp-1214907
7.316163
2.477627
-2.905936
other
As4C72F68
144
60
1,891.91
mp-672963
13.195672
6.948408
-6.396983
other
Sb4P16O48
68
60
1,062.17
mp-1245898
0.485703
2.499954
1.802061
other
Co28Ge4N24
56
60
616.17
mp-1245953
2.469845
2.332249
1.351032
other
Sn28Ge4N24
56
60
1,061.06
mp-22198
10.898002
12.133289
2.131311
other
Nb8Ni4O24
36
60
406.73
mp-26984
11.017997
8.051677
-7.444763
other
Mn4P16O48
68
60
962.94
mp-1246263
1.960131
2.487972
0.96057
other
Cd28Sn4N24
56
60
953.3
mp-1245756
1.592299
1.806848
1.342775
other
Ba28Ge4N24
56
60
1,294.54
mp-28970
0.959785
1.179844
-4.575378
other
Nd8N4Cl12
24
60
580.91
mp-755802
9.66328
8.738048
0.520601
other
K8Mg4O8
20
60
337.64
mp-540879
14.122827
4.746904
-1.948634
other
Eu4B8O16
28
60
341.56
mp-758122
6.513289
14.003689
-2.009937
other
Li4Co8O16
28
60
264.48
mp-781861
10.947258
11.803221
2.639784
other
Nb8Cd4O24
36
60
457.71
mp-1247355
1.474655
1.820032
1.232206
other
Ba28C4N24
56
60
1,220.79
mp-2647015
5.44098
-0.428535
-3.087497
other
Ba4B8H32
44
60
510.33
mp-9841
12.201144
3.793298
-8.026958
other
Er8S12O48
68
60
1,069.28
mp-752394
10.071024
10.126451
-1.175482
other
Al4Te4O16
24
60
261.25
mp-777848
10.691703
-0.108418
0.301544
other
Li4Mn4F16
24
60
275.53
mp-5832
11.747211
7.363824
-1.024527
other
Li8Ge28O60
96
60
1,208.01
mp-1247750
0.502609
2.509084
1.904506
other
Mn28Ge4N24
56
60
612.68
mp-777513
10.067874
10.541676
0.260814
other
Na16Fe8O16
40
60
656.75
mp-644879
12.951406
6.775213
-0.658324
other
Mg8Si8O24
40
60
422.72
mp-1245384
1.53467
1.679161
1.491189
other
Sr28Os4N24
56
60
1,136.39
mp-777298
10.399847
0.820488
1.621264
other
Li8Mn8F24
40
60
553.94
mp-25908
13.047458
6.689211
-6.537337
other
Sn4P16O48
68
60
1,028.28
mp-16771
9.360779
7.076893
-3.594816
other
Mg4Se8O20
32
60
427.03
mp-27264
9.130362
1.979447
1.595934
other
Na4Ti4F16
24
60
312.98
mp-26956
12.981003
8.18329
-7.273342
other
V4P16O48
68
60
995
mp-771047
7.721234
6.535512
-3.146029
other
Mn4I8O24
36
60
558.27
mp-1196870
9.715558
12.598995
-3.782089
other
Mg4V8O24
36
60
363.65
mp-559803
13.340478
4.633683
-2.387641
other
Ag32B32O64
128
60
1,512.56
mp-1247286
2.165015
2.310377
1.248131
other
In28Si4N24
56
60
963.2
mp-704238
11.404781
11.022323
-4.058479
other
Gd8Mo20O72
100
60
1,780.95
mp-14118
11.597197
11.289834
-3.974025
other
Sc8Mo12O48
68
60
1,233
mp-756624
-1.295576
1.932682
-1.575479
other
Ba8Sr4I24
36
60
1,940.96
mp-778347
10.217157
0.434912
0.262166
other
Li4Fe4F16
24
60
274.19
mp-21787
7.234383
9.424722
-0.457016
other
Eu16Au8O36
60
60
885.45
mp-769480
10.514233
8.360807
2.44104
other
Y16Ga8O36
60
60
780.07
mp-1245373
1.784431
1.849358
1.464979
other
Ca28C4N24
56
60
824.02
mp-771702
10.154797
13.425698
-2.611961
other
V4Cr8O24
36
60
390.11
mp-1247406
1.59918
1.717015
1.510054
other
Sr28Cr4N24
56
60
1,095.07
mp-561845
8.513469
1.561009
-0.560604
other
Yb12Au24F108
144
60
2,355.14