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-1198931
-3.974381
-1.445411
-5.403611
other
Cs4Ag28S16
48
85
1,064.02
mp-1104131
14.179022
6.573582
-6.483398
other
Nb2P2O10
14
85
179.83
mp-28021
-0.095086
0.89323
-3.866562
other
Sr10Br16Cl4
30
85
937.62
mp-1041117
10.210986
9.740528
-0.698089
other
Zn2Sb8O18
28
85
448.71
mp-1212847
7.421546
0.22293
-0.610339
other
Fe8H12F8
28
85
2,568.78
mp-1048015
5.717782
11.218776
-1.674213
other
Ca2Fe8O18
28
85
380.36
mp-542503
11.864805
8.307903
3.124811
other
La18Sb10O10
38
85
1,026.63
mp-1041384
12.257294
12.554137
-2.369898
other
V8Zn2O18
28
85
346.85
mp-650817
12.962437
11.008919
-0.524127
other
K4Mo16O32
52
85
717.13
mp-18716
12.296494
12.299026
-2.188152
other
Sr2V8O18
28
85
370.62
mp-1041436
9.181262
9.789192
-0.149677
other
Ca2Sn8O18
28
85
353.41
mp-1041374
8.83059
11.583726
-2.686698
other
Mg2Cr8O18
28
85
339.12
mp-759342
11.052586
11.983758
2.644462
other
Nb18As2O50
70
85
972.48
mp-1041414
12.785362
10.561077
-0.014613
other
Ca2W8O18
28
85
374.8
mp-1040892
11.074216
12.137838
2.107406
other
Ti8Zn2O18
28
85
363.78
mp-779456
11.260695
9.997191
1.796373
other
Y8Re4O20
32
85
406.57
mp-1016153
8.316831
14.322173
-1.54687
other
K2Mn16O32
50
85
589.01
mp-555896
11.78581
8.166651
3.226459
other
Pr18Sb10O10
38
85
989.54
mp-1197286
11.769349
8.075126
3.301447
other
Ce18Sb10O10
38
85
954.6
mp-1047806
12.789536
10.510807
-0.613877
other
Mg2Mo8O18
28
85
386.97
mp-1048061
12.824492
10.534334
-0.117004
other
Mg2W8O18
28
85
369.39
mp-767401
10.706428
8.253434
1.295038
other
Gd8As4O20
32
85
421.77
mp-22006
11.626567
11.465651
-3.416064
other
V2Mo2O10
14
85
182.1
mp-30543
-3.926483
-1.446837
-5.438132
other
Rb4Ag28S16
48
85
1,072.15
mp-726454
7.843584
4.599474
-6.06414
other
Y2C8O16
26
85
394.88
mp-27437
7.46382
6.491882
-3.043267
other
Zr2I8O24
34
85
523.29
mp-1041397
6.44143
11.474094
-1.553868
other
Ca2Co8O18
28
85
355.21
mp-18866
12.250063
12.483023
-2.27736
other
Ca2V8O18
28
85
368.95
mp-758233
11.048473
11.930159
2.683372
other
Nb18P2O50
70
85
981.57
mp-29843
1.647483
2.68447
-4.966251
other
Bi8Se8Cl28
44
85
1,267.28
mp-1189677
8.052904
2.37551
-1.191311
other
Ge2N4F10
16
85
257.35
mp-1041375
12.241048
12.71454
-2.298717
other
Mg2V8O18
28
85
343.91
mp-1041451
8.876292
11.417994
-2.674581
other
Ca2Cr8O18
28
85
370.94
mp-1192450
-5.903554
-3.6234
1.799714
other
Zr10Ni2Sb18
30
85
700.46
mp-1048047
5.520778
11.296025
-1.999692
other
Mg2Fe8O18
28
85
312.63
mp-554411
9.376665
0.20235
0.678687
other
Cs4Mn4F16
24
85
397.83
mp-726225
8.161761
2.31141
-1.220668
other
Ge2N4F10
16
85
283.72
mp-17741
11.141743
9.996246
1.798993
other
Sm8Re4O20
32
85
430.95
mp-1043973
12.899336
10.628712
-0.30103
other
Zn2W8O18
28
85
371.72
mp-1080245
8.484034
14.562898
-1.006937
other
K8Mn16O32
56
86
694.07
mp-1198135
7.251104
8.052582
-3.126474
other
Mg4B8O28
40
86
465.85
mp-1188588
-7.769066
0.19104
4.661828
other
Pr2B8Os8
18
86
233.42
mp-1189309
-8.037251
0.113353
4.785189
other
Eu2B8Os8
18
86
232.28
mp-23384
7.733882
6.657795
-2.964245
other
Li8I8O24
40
86
567.17
mp-1106302
-8.985168
-0.785926
4.239208
other
Th2B8Ir8
18
86
236.8
mp-1189206
-9.042015
-0.705192
4.257765
other
Pr2B8Ir8
18
86
237.81
mp-572537
8.660418
4.005436
-6.841561
other
K8C2O8
18
86
288.73
mp-20578
-9.257814
-0.768913
4.360476
other
Eu2B8Ir8
18
86
233.58
mp-1003736
8.508852
14.806648
-1.136772
other
Na8Mn16O32
56
86
636.26
mp-1105839
-7.872105
0.902679
3.975495
other
Sm2Co8B8
18
86
183.51
mp-7347
-8.570663
-0.240661
5.00705
other
La2B8Ru8
18
86
228.55
mp-555999
7.514638
6.519266
-3.177475
other
Np2I8O24
34
86
557.23
mp-1188783
-9.041204
-0.81556
4.180651
other
Pu2B8Ir8
18
86
232.06
mp-1080222
8.486975
14.530276
-1.373054
other
Mn16H8O32
56
86
630.49
mp-553927
7.458074
6.537138
-3.197961
other
Pu2I8O24
34
86
517.04
mp-672260
3.332488
3.118094
-4.185787
other
P8N8Cl16
32
86
1,420.36
mp-776027
10.371915
1.913118
2.146536
other
Li8Fe8F24
40
86
473.54
mp-981396
-9.043218
-0.781054
4.266224
other
Y2B8Ir8
18
86
230.38
mp-1188734
-6.395792
1.282478
3.885265
other
Pr2Fe8B8
18
86
191.57
mp-1188930
-7.85299
0.11334
4.646761
other
Ce2B8Os8
18
86
231.2
mp-776026
10.320729
1.863218
2.136694
other
Li8Fe8F24
40
86
481.65
mp-9584
-9.043076
-0.740187
4.271826
other
Nd2B8Ir8
18
86
234.24
mp-1179056
-7.950224
0.048254
4.720715
other
Th2B8Os8
18
86
233.91
mp-1210742
6.748505
6.412273
-3.89023
other
Na2Sb2O24
28
86
593.26
mp-555562
7.634956
6.565772
-2.976422
other
Li8I8O24
40
86
674.13
mp-975663
-7.734016
0.838027
3.901826
other
Pr2Co8B8
18
86
187.32
mp-15323
-7.800861
0.194259
4.663647
other
Nd2B8Os8
18
86
230.69
mp-1190481
-9.035452
-0.752381
4.285279
other
Ce2B8Ir8
18
86
234.15
mp-1188143
-9.067328
-0.729705
4.291353
other
Sm2B8Ir8
18
86
235.48
mp-648211
3.57463
2.818583
-4.261487
other
P16N16Cl32
64
86
1,459.18
mp-570315
2.008729
2.211958
-3.951456
other
P8Br16N8
32
86
851.74
mp-1209570
-2.238378
-8.106352
1.827945
other
Tb4B8Ir8
20
86
4,298.52
mp-1006322
-6.564359
1.222641
3.859756
other
Ce2Fe8B8
18
86
183.09
mp-1189727
-7.88537
0.791127
3.969339
other
La2Co8B8
18
86
189.42
mp-556164
10.946323
7.737177
-2.543005
other
Si2Ag8O8
18
86
260.73
mp-581471
-7.855909
0.890099
3.978308
other
Nd2Co8B8
18
86
185.9
mp-568029
-8.081732
-9.210867
5.514652
other
Mg60Si8Ir20
88
86
1,672.28
mp-1200333
0.756343
1.135262
-3.958769
other
La24Co4Cl44
72
86
1,885.92
mp-23493
7.516747
6.483863
-3.077143
other
Ce2I8O24
34
86
524.34
mp-1106404
-6.521621
1.27541
3.884306
other
Nd2Fe8B8
18
86
189.6
mp-1188221
-7.821849
0.161646
4.715995
other
La2B8Os8
18
86
235
mp-1212228
7.867156
6.374227
-3.344127
other
Np4I8O24
36
86
886.84
mp-1209067
11.378716
7.717059
-2.695883
other
Si4Ag8O8
20
86
391.26
mp-1189226
-7.815784
0.206865
4.690408
other
Sm2B8Os8
18
86
231.79
mp-14748
10.6812
10.335968
1.593228
other
La16Mo8O44
68
86
1,007.6
mp-1194956
6.903361
6.323391
-3.907009
other
Na4Sb4O24
32
86
521.24
mp-1215022
6.791422
6.179152
-3.740857
other
Ag2Sb2O24
28
86
437.01
mp-13758
10.79741
10.403605
1.801803
other
Nd16Re8O44
68
86
911.23
mp-571213
3.553456
2.828136
-4.244624
other
P8N8Cl16
32
86
713.82
mp-9596
-9.073606
-0.749211
4.275142
other
La2B8Ir8
18
86
237.05
mp-978921
-8.997351
-0.776597
4.25797
other
Tb2B8Ir8
18
86
230.4
mp-1106191
-9.080643
-0.733302
4.276367
other
Gd2B8Ir8
18
86
234.62
mp-759042
10.448813
0.956481
1.614052
other
Li8Mn8F24
40
86
490.94
mp-1210637
-2.162825
-8.259352
2.05119
other
Th4B8Os8
20
86
5,973.78
mp-1193322
-7.081018
-7.4074
1.72329
other
Mg1Hg22N6
29
87
706.56
mp-1178520
9.859952
8.808991
2.102988
other
Ca1Eu4O5
10
87
160.42
mp-1202383
8.596407
6.182101
-5.829424
other
Ce6S6O32
44
87
630.75
mp-1104139
-5.644413
-1.48322
2.339169
other
Ta5Ni4P4
13
87
171.53
mp-625950
9.718876
4.614082
-4.063072
other
Te1H6O6
13
87
137.79
mp-1226557
7.123838
8.399126
-0.869663
other
Ce1Pr4O10
15
87
227.79