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-1332980
7.07899
12.445558
-2.390507
other
Nb4Co4O18
26
193
293.68
mp-1188355
-5.442219
-3.299414
2.216927
other
Zr10Sb6P2
18
193
378.72
mp-1208184
-6.621733
-3.5813
6.380636
other
Tm12Nb8Al86
106
193
1,888.7
mp-641689
-8.424098
-5.013675
3.252292
other
Ce12In10Pd24
46
193
968.55
mp-1207922
-5.762811
-4.015149
1.246111
other
U6Ta2Sb10
18
193
461.34
mp-1189433
-7.165291
-6.38424
5.039396
other
La10Sn6C2
18
193
544.25
mp-1106069
-5.215379
-4.585763
6.180089
other
Lu10Si6C2
18
193
366.69
mp-28868
-3.927197
-0.183295
-3.754046
other
Nb6Bi4S12
22
193
505.74
mp-1105738
-5.443119
-3.628246
2.457109
other
Zr10Sb6C2
18
193
359.24
mp-1209745
-6.094448
-4.599078
1.500434
other
Pr6Nb2Sb10
18
193
491.98
mp-1189584
-5.030811
-4.768856
6.309874
other
Sm10Si6C2
18
193
428.53
mp-1208482
-6.612358
-3.173889
6.052458
other
U12Al86V8
106
193
1,818.36
mp-1199868
-6.635289
-2.727999
6.413573
other
Y12Al86W8
106
193
1,869.07
mp-1199361
-6.594095
-2.965592
6.429693
other
Ho12Al86Cr8
106
193
1,804.41
mp-1209360
-6.490146
-5.411874
3.271206
other
Pr10Bi6Br2
18
193
552.58
mp-1212458
-6.735531
-2.731313
6.462072
other
Ho12Mn8Al86
106
193
1,801.71
mp-541856
-6.504164
-3.451576
4.173827
other
U6Ti2Ge10
18
193
364.36
mp-1189345
-5.531808
-1.011648
2.154202
other
V10As6C2
18
193
231.92
mp-1105792
-7.053852
-4.966882
6.023356
other
Tb10Ge6C2
18
193
410.88
mp-20513
-5.735466
-3.921746
1.029966
other
U6Mn2Sb10
18
193
425.57
mp-1207857
-6.448613
-3.538951
6.261877
other
Y12Ta8Al86
106
193
1,874.67
mp-1213880
-7.141869
-5.890339
4.290689
other
Ce10Ag2Sn6
18
193
517.69
mp-680842
-5.822927
-7.169071
3.429933
other
Ca10Mn2Pb6
18
193
543.14
mp-1105676
-5.09964
-4.612284
6.169579
other
Tb10Si6C2
18
193
404.53
mp-1205140
-6.576632
-3.181053
6.384464
other
Nd12Al86Cr8
106
193
1,892.7
mp-1188208
-5.414036
-3.461487
2.347623
other
Zr10Cu2Sb6
18
193
374.39
mp-12890
-5.787111
-3.985735
1.288361
other
Hf2U6Sb10
18
193
471.16
mp-1208183
-6.478217
-3.575724
6.273923
other
Tm12Ta8Al86
106
193
1,885.13
mp-759324
9.432341
8.659138
-0.548472
other
Yb1Bi12O20
33
197
543.84
mp-849319
9.529016
8.589755
-0.493231
other
Dy1Bi12O20
33
197
553.5
mp-1214246
9.673606
8.669795
-0.546396
other
Bi12Ir1O20
33
197
555.34
mp-754191
9.914436
10.971197
3.276174
other
La4Ti6O18
28
197
385.04
mp-772790
9.519977
8.583214
-0.5012
other
Er1Bi12O20
33
197
525.27
mp-28402
9.467955
8.616947
-0.558852
other
Zn1Bi12O20
33
197
530.28
mp-769643
9.543418
8.595579
-0.493353
other
Y1Bi12O20
33
197
555.75
mp-1208196
-6.537405
-6.297753
2.684842
other
Y4Rh6Pb19
29
197
810.02
mp-1214919
9.589911
8.586306
-0.50312
other
Al1Bi12O20
33
197
529.64
mp-541611
7.823676
11.121027
0.814935
other
La4Ru6O19
29
197
375.61
mp-1209789
-6.539141
-6.272313
2.691763
other
Sm4Rh6Pb19
29
197
833.65
mp-769006
9.35258
8.668542
-0.581908
other
Li1Bi12O20
33
197
524.85
mp-1209440
-7.605578
-3.573325
4.722517
other
Sc4Ge19Rh6
29
197
531.7
mp-23494
9.660272
8.583512
-0.486637
other
Ti1Bi12O20
33
197
527.47
mp-677295
9.553407
8.639002
-0.545949
other
Co1Bi12O20
33
197
522.15
mp-1214239
9.746256
8.688481
-0.558273
other
Bi12Ru1O20
33
197
551.46
mp-667342
9.511526
8.685327
-0.604525
other
Bi12Pb1O20
33
197
539.93
mp-1209945
11.778281
10.602002
0.677024
other
Nd4Re6O19
29
197
363.58
mp-1210683
-6.567171
-6.235157
2.74565
other
Nd4Rh6Pb19
29
197
837.35
mp-28632
9.580367
8.616752
-0.524504
other
Ga1Bi12O20
33
197
536.94
mp-757916
9.810621
8.520002
-0.758761
other
Bi12As1O20
33
197
535.79
mp-505201
9.548913
8.575972
-0.518228
other
Mn1Bi12O20
33
197
547.17
mp-1207815
-6.531809
-6.322905
2.534432
other
Yb4Rh6Pb19
29
197
845.87
mp-780705
9.355208
8.720201
-0.619878
other
Na1Bi12O20
33
197
543.76
mp-510508
7.767357
10.774692
0.01027
other
Ba4Ir6O18
28
197
427.62
mp-4802
11.526538
10.538656
0.713907
other
La4Re6O19
29
197
373.48
mp-1214312
9.688694
8.603399
-0.510832
other
Bi12Sb1O20
33
197
561.69
mp-757798
9.856927
8.395225
-0.725562
other
Bi12P1O20
33
197
528.05
mp-1209407
11.81175
10.52198
0.667254
other
Pr4Re6O19
29
197
367.17
mp-23492
9.723716
8.553257
-0.545313
other
Si1Bi12O20
33
197
516.08
mp-769060
9.634752
8.491898
-0.634437
other
Bi12B1O20
33
197
522.05
mp-772198
9.523798
8.59442
-0.488341
other
Be1Bi12O20
33
197
517.4
mp-23352
9.705036
8.588341
-0.548817
other
Ge1Bi12O20
33
197
523.26
mp-541612
8.847304
11.018537
0.985723
other
La4Os6O19
29
197
372.38
mp-1214426
-6.392659
-6.447711
2.464473
other
Ca4Rh6Pb19
29
197
873.8
mp-1213901
11.9383
10.673844
0.885286
other
Ce4Re6O19
29
197
368.87
mp-1204076
7.590148
4.747824
-5.447832
other
U12C24O64
100
197
2,597.71
mp-1209935
9.507073
8.61578
-0.534266
other
Ni1Bi12O20
33
197
535.73
mp-541640
8.811687
11.132221
0.954486
other
Nd4Os6O19
29
197
362.31
mp-769405
9.550074
8.587122
-0.487827
other
Ho1Bi12O20
33
197
554.22
mp-7580
-2.625416
-0.918141
-5.200818
other
Hg6S4F4
14
199
274.75
mp-642190
-5.664617
-2.29409
-2.440374
other
Ni6Bi4S4
14
199
254.95
mp-27853
-0.993791
1.16701
-4.336418
other
Hg6Te4Br4
14
199
464.06
mp-23418
-0.537162
1.259955
-5.112732
other
Hg6S4Cl4
14
199
373.07
mp-27852
-0.9097
0.832252
-4.223258
original
Hg6Te4Cl4
14
199
426.67
mp-768971
7.053677
8.922326
-0.989106
other
Li4Bi12O24
40
199
629.53
mp-1219883
-6.309656
-5.191311
2.223191
other
Pr4Nd4Sb6
14
199
435.93
mp-1198991
8.460826
1.218127
-3.967714
other
Rb6H24N10
40
199
490.15
mp-761872
10.592067
9.132831
0.620904
other
Na4Sn4O6
14
199
242.84
mp-1219701
-2.62994
0.128667
2.527888
other
Pu4U4C12
20
199
266.37
mp-27851
-0.51099
0.990099
-5.074629
other
Hg6Se4Cl4
14
199
391.77
mp-1217386
-5.359069
-4.236038
0.632301
other
Th6Sb4As4
14
199
386.75
mp-1222954
-2.24896
0.464833
2.464619
other
La4Lu4C12
20
199
298.26
mp-554993
-6.507598
-3.990035
-0.301442
other
Pd6Pb4S4
14
199
296.56
mp-20694
9.216893
8.239383
-0.506732
other
K4Pb4O6
14
199
300.64
mp-1211960
12.07023
8.638694
0.599649
other
K4Ge4O6
14
199
256.78
mp-1103724
-6.457596
-3.976399
-0.208792
other
Bi4Pt6Se4
14
199
326.1
mp-1222904
-2.251407
0.50291
2.4443
other
La4Y4C12
20
199
312.07
mp-861986
-8.446733
-6.05716
6.602028
other
Pr10Al4Ru6
20
199
486.2
mp-865967
-7.594733
-4.414314
5.519074
other
Ce10Al4Ru6
20
199
453.31
mp-23012
-6.784343
-3.989296
-0.257163
other
Bi4Pd6S4
14
199
295.14
mp-1216018
-2.344374
0.512127
2.461455
other
Y4Th4C12
20
199
299.34
mp-1185199
-8.310358
-5.655516
6.253397
other
La10Al4Ru6
20
199
496.21
mp-1104854
-4.985482
-1.770314
-3.913106
other
Ni6Pb4S4
14
199
258.89
mp-1197783
10.507942
9.955521
-1.8375
other
Re4Bi12O32
48
199
760.29
mp-1212164
-3.1513
-1.512632
-4.765762
other
Hg6Se4F4
14
199
305.07
mp-1213706
8.822331
8.37997
-0.541871
other
Cs4Pb4O6
14
199
379.98
mp-757715
9.605072
8.654801
0.093984
other
Tb4Bi12O24
40
199
682.89
mp-1209489
9.038131
8.363723
-0.394542
other
Rb4Pb4O6
14
199
336.6
mp-8624
10.471254
8.959063
0.658857
other
K4Sn4O6
14
199
291.81
mp-1212452
12.423939
9.056623
2.338795
other
Hf18W8O6
32
194
553.36
mp-1206614
-1.578249
1.053531
-1.228603
other
Dy4Co4I2
10
194
231.4