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-6648
13.776238
4.117795
-2.262708
other
K8Li8B32O56
104
19
1,251.65
mp-1193025
5.860545
5.836763
-3.297065
other
K4Zn4I12O8
28
19
1,099.19
mp-559561
9.566374
4.943423
-6.795615
other
Na16Mo4S12O56
88
19
1,253.99
mp-863419
12.494156
7.280531
-6.895336
other
Li4Ni4P12O36
56
19
903.64
mp-15600
10.622961
4.214674
-7.214575
other
K8Ca8S12O48
76
19
1,088.12
mp-1361234
8.967675
8.044203
-4.02268
other
Ca4Ag4As4O20
32
19
451.73
mp-1214223
4.908415
3.051435
-4.018595
other
C8S8N4Cl12
32
19
747.34
mp-1201695
6.710834
0.404259
-3.532698
other
B80H120C12N8
220
19
2,221.19
mp-849327
14.02954
7.191817
-6.125651
other
Li8Cu4P12O36
60
19
685.35
mp-23843
9.584481
6.177073
-3.890568
other
Li4H4Se4O12
24
19
315.42
mp-764111
14.154858
7.321554
-6.265539
other
Na4Fe4P12O36
56
19
689.58
mp-696157
11.410031
4.259293
-4.569312
other
Na4P4H24O24
56
19
553.8
mp-757836
10.380773
5.06304
-4.797017
other
Be4H8Se4O16
32
19
346.88
mp-758607
10.147474
8.041206
-3.067673
other
Li4Co4Si4O16
28
19
327.58
mp-559645
13.510464
5.479224
-6.916394
other
K4Th4P12O40
60
19
875.17
mp-677549
12.606495
6.593316
0.161284
other
Ca8Al8Si4O28
48
19
670.53
mp-1229143
10.950752
9.520222
-4.094637
other
Ag4Mo4As4O24
36
19
504.13
mp-1362377
8.850143
8.114352
-4.19752
other
Mg4Ag4As4O20
32
19
453.06
mp-1202098
11.436293
11.145559
-3.710961
other
K24Mg24Mo36O144
228
19
3,768.35
mp-1182770
6.687804
6.164238
-3.929381
other
Na12As4S4O60
80
19
1,621.44
mp-707200
12.948852
5.660086
-6.186379
other
Na16P16H8O52
92
19
1,192.73
mp-505245
9.724213
5.324147
-4.483194
other
Li8Cr4H16O24
52
19
529.34
mp-1019605
13.050168
5.733534
-5.897194
other
Cs8Ba12P16O56
92
19
1,702.73
mp-734411
8.550083
2.977082
-4.703195
other
Co4H36N24O24
88
19
834.79
mp-555408
6.979494
2.285584
-1.369259
other
Sb4S28I4F24
60
19
1,471.53
mp-699581
13.378472
8.848463
-7.129069
other
V12P16Pb4O68
100
19
1,301.95
mp-1209611
11.188372
6.909946
-1.607112
other
Rb8Ti4Si12O40
64
19
976.54
mp-758086
14.011436
7.057488
-5.749647
other
Li4Sn4P12O36
56
19
757.74
mp-1218169
9.488845
8.596406
2.361656
other
Sr4Pr4In4O16
28
19
447.11
mp-757838
13.895504
7.040097
-5.66714
other
Li4Sn4P12O36
56
19
775.8
mp-555784
11.073894
11.041312
-3.743573
other
Na8U4Mo8O40
60
19
1,038.17
mp-1020599
10.347327
4.219167
-6.997891
other
Na20B4S16O64
104
19
1,387.7
mp-1182695
8.496379
7.996354
-3.782092
other
Li4V4Te4O20
32
19
640.15
mp-648264
5.637221
3.276364
-4.72587
other
Os24C68S8O68
168
19
2,992.46
mp-1326396
11.175746
7.671729
-4.800598
other
Ca4Mn4As4O20
32
19
414.81
mp-759063
13.593072
6.843464
-0.790347
other
Li8Fe4Si16O40
68
19
977.91
mp-1177957
7.630998
12.983368
-1.379064
other
Li8Ni12W4O32
56
19
601.54
mp-753939
14.205785
7.338686
-5.100873
other
Li4Sn4P4O16
28
19
379.44
mp-775492
11.765162
13.802956
-1.318598
other
Li8Mn4V12O32
56
19
607.92
mp-650984
5.534314
3.340183
-4.67066
other
Ru24C68S8O68
168
19
3,076.57
mp-707226
9.879264
3.017519
-4.392795
other
H32Se8N8O20
68
19
728.68
mp-23598
8.832746
4.972221
-5.419026
other
S8I8O24F8
48
19
981.07
mp-759432
12.545285
7.311813
-6.977381
other
Li4Cu4P12O36
56
19
662.28
mp-554334
8.884726
5.611224
-6.58238
other
K4V4S4O24
36
19
541.07
mp-1202834
10.130395
3.052906
-3.92184
other
Zn8H72Cl16O36
132
19
1,715.66
mp-1210355
12.350549
5.872303
-3.360553
other
Na4Np4H8O16
32
19
371.43
mp-696797
7.520917
7.092473
-4.157627
other
H4Se4N4O16
28
19
445.89
mp-1380034
11.065384
8.033525
-5.199987
other
Mg4Mn4As4O20
32
19
420.56
mp-705333
12.820642
8.484382
-6.27979
other
Li4Mo4P8O32
48
19
662.41
mp-780193
14.416982
7.395396
-6.213032
other
Li4Cr4P12O36
56
19
667.85
mp-604119
12.07958
5.045437
-5.103534
other
K4P4H8O16
32
19
436.57
mp-1212762
8.070575
2.173866
-4.666329
other
H36C8N44O8
96
19
1,015.92
mp-607479
-3.33354
-1.635565
-5.681572
other
Rb4Eu4Si4S16
28
19
746.68
mp-573969
-4.709825
-3.251274
-3.443866
other
Cs4Ce4Si4Se16
28
19
917.38
mp-1357139
8.822233
8.125523
-4.117468
other
Zn4Ag4As4O20
32
19
467.28
mp-1227196
12.232692
6.449637
-5.45856
other
Cd20Ge4P8O48
80
19
1,096.74
mp-10070
13.094609
6.343595
-6.142273
other
Ba4Ag4P12O36
56
19
856.46
mp-1193064
-3.331185
-1.725209
-5.649479
other
Cs4Dy4Si4S16
28
19
779.77
mp-14864
13.260911
6.221018
-5.986328
other
Cs8Ti4P8O32
52
19
980.11
mp-1194601
-3.499965
-1.358987
-5.494274
other
Cs8Cd4Ge12S32
56
19
1,702.02
mp-1047020
11.729069
7.781033
-3.691639
other
Zn4Sb4As4O20
32
19
515.19
mp-541280
9.530092
8.562058
2.291279
other
Ba4La4Ga4O16
28
19
440.87
mp-1374432
9.927447
8.13504
-4.635331
other
Mg4Ni4As4O20
32
19
364.48
mp-557396
6.320384
5.09309
-4.396779
other
Ag16I8N8O24
56
19
1,025.39
mp-1209762
8.008069
2.086905
-1.075044
other
Sb8Te16Se8F48
80
19
1,870.29
mp-556819
10.099216
4.509939
-6.962842
other
Tl8Cd8S12O48
76
19
1,179.78
mp-1198464
10.62138
3.134622
-4.542561
other
P4H28N8O16
56
19
486.3
mp-1196428
9.059708
6.209858
-4.515443
other
Rb4B8Se12O40
64
19
960.88
mp-556705
7.867684
2.318727
-1.391032
other
As4S4Cl12F24
44
19
885.04
mp-559005
11.385016
4.966094
-4.402782
other
Na4As4H16O20
44
19
480.47
mp-557235
13.508997
4.395566
-2.628574
other
Na12V4B24O52
92
19
1,022.64
mp-556802
9.206616
0.622475
0.764603
other
Na4Sr4Fe4F24
36
19
545.11
mp-775285
6.026956
13.294554
-1.692209
other
Li8Co4Ni12O32
56
19
541.62
mp-1220571
10.451502
9.6886
0.61448
other
Nb4Bi8O20F4
36
19
508.59
mp-26111
14.35315
7.359391
-6.279079
other
Li4Cr4P12O36
56
19
665.55
mp-1355282
6.210326
11.672244
-1.001127
other
Ca4Mn4Fe4O20
32
19
429.13
mp-657378
13.136111
6.748607
-1.600078
other
Na12Si8P4O32
56
19
911.41
mp-756068
11.012936
2.636661
0.750385
other
Li4V4O4F12
24
19
307.36
mp-1204927
9.44572
1.577063
-3.952412
other
Be4H40N12F12
68
19
610.83
mp-19481
13.751369
7.460456
-6.338771
other
Rb8V4P8O32
52
19
822.75
mp-694557
11.667303
7.772403
-7.653859
other
Li4Mn4P16O48
72
19
892.44
mp-1224144
9.271483
1.711547
1.221131
other
K8V4O4F16
32
19
508.81
mp-23991
10.195436
3.10162
-4.72143
other
H24S4N8O16
52
19
438.33
mp-1181006
10.638995
11.258911
-3.316903
other
Li4V4Te4O20
32
19
427.63
mp-631247
10.68449
10.86937
-3.407716
other
Li4V4Te4O20
32
19
525.26
mp-1220125
10.903538
11.607
2.938395
other
Rb12Mg4Nb20O60
96
19
1,529.08
mp-1214024
8.561204
10.745306
-3.51159
other
Ca4Mg4V4O20
32
19
412.16
mp-1195633
-4.674182
-2.996539
-3.774974
other
Cs8Mg4Sn12Se32
56
19
2,131.43
mp-1047018
11.66411
7.369764
-3.610077
other
Ca4Bi4As4O20
32
19
492.02
mp-1176610
12.485454
7.440968
-7.333399
other
Li4Ni4P12O36
56
19
637.7
mp-707339
10.584455
3.321203
-4.349524
other
As4H24N4O16
48
19
531.6
mp-720263
10.158039
4.830935
-4.382145
other
Cu4H16Se4O20
44
19
465.45
mp-775328
6.259748
13.10501
-1.488231
other
Li8Ti4Ni12O32
56
19
548.95
mp-1662331
11.520565
7.544577
-2.3092
other
Li4Mn4Si4O16
28
19
291.26
mp-23877
10.396189
4.020382
-4.368358
other
Ni4H56S4O44
108
19
956.71
mp-1357359
11.954349
7.768575
-3.581903
other
Mg4Sb4As4O20
32
19
467.96
mp-1252396
12.519883
6.653083
0.18182
other
Ca8Al8Si4O28
48
19
657.1
mp-655027
9.306589
3.841017
-4.915934
other
Sr4H24C8O24
60
19
702.21
mp-1200557
6.279266
5.104228
-4.610193
other
Cs4V4N8O32
48
19
842.11
mp-696794
9.191665
6.353906
-3.927948
other
Rb4H4Se4O16
28
19
439.09