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-1246316
1.945649
2.348326
1.287822
other
Ga2Pb6N6
14
176
344.97
mp-976892
-8.691653
1.563855
-3.190401
other
Na2Te6Mo6
14
176
351.8
mp-1029665
1.910452
1.766139
1.455536
other
Sr6B2N6
14
176
248.49
mp-1214854
10.90197
6.498285
-2.817359
other
Al12B10O36
58
176
539.02
mp-1103603
-8.673148
1.532721
-3.207282
other
Na2Te6Mo6
14
176
401.15
mp-1029626
1.417659
1.912208
1.298312
other
Ba6Ir2N6
14
176
326.05
mp-1103996
-6.135517
1.485438
-4.807787
other
K2Mo6S6
14
176
356.63
mp-1181313
10.504778
9.340599
-1.937508
other
Ga4Te6O18
28
176
542.15
mp-1029659
1.335427
1.850056
1.362609
other
Ca6Fe2N6
14
176
222.28
mp-561682
-6.193183
1.593666
-4.86903
other
Cs2Mo6S6
14
176
340.72
mp-1246710
1.666576
1.819569
1.276778
other
Ba6Al2N6
14
176
341.55
mp-1245853
1.555366
1.763071
1.182788
other
Ba6Y2N6
14
176
377.23
mp-1029610
1.37718
1.81256
1.41918
other
Ca6Co2N6
14
176
221.1
mp-1193601
6.71454
6.048965
-3.548887
other
Ba2Br4O22
28
176
519.01
mp-1104612
-8.813711
1.561355
-3.347963
other
Cs2Te6Mo6
14
176
463.49
mp-1212754
6.460726
5.885565
-3.57658
other
Gd2Cl6O24
32
176
437.51
mp-1246600
1.457897
1.862546
1.15109
other
Ba6Cu2N6
14
176
323.58
mp-1213303
10.146868
7.50474
-1.676835
other
Eu10Si6O26
42
176
565.49
mp-1210994
8.171894
6.241021
-3.042339
other
Pr14I6O36
56
176
1,024.53
mp-504445
8.5432
12.884858
-0.990658
other
Ba2Fe8O14
24
176
316.01
mp-27357
12.694108
10.728764
-0.551436
other
Sn10W16O46
72
176
1,122.86
mp-3708
-6.198709
-2.293226
-1.175972
other
Tl2Fe6Te6
14
176
329.03
mp-1245956
2.122803
2.415462
1.255603
other
Al2Pb6N6
14
176
334.47
mp-28999
-8.423164
-2.340079
3.712695
other
Sn8B6Ir14
28
176
425.56
mp-1210036
11.837009
6.711539
-4.596809
other
P6Pb10O26
42
176
638.81
mp-1103956
-8.715981
1.566931
-3.268676
other
K2Te6Mo6
14
176
384.76
mp-1209689
11.930558
7.599252
0.541111
other
Pr10Si6O26
42
176
590.27
mp-3079
10.925967
11.835173
3.041915
other
Ca2Ta8O22
32
182
413.6
mp-1189932
-4.573793
-1.081502
-2.858719
other
Mn2Nb6Se12
20
182
387.61
mp-1189225
-4.517478
-1.001088
-2.940193
other
Nb6Rh2Se12
20
182
400.95
mp-1188620
-4.573092
-0.874116
-2.911536
other
Nb6Ni2Se12
20
182
401.17
mp-1208259
-4.255318
-0.129268
-4.310074
other
Ti6Co2S12
20
182
328.65
mp-1446564
10.396702
1.943939
2.202341
other
Li2Fe2F6
10
182
108.9
mp-1196424
3.724015
2.803149
0.569144
other
Cd24P48N96
168
182
1,985.64
mp-985289
-4.657619
-1.000717
-2.880612
other
Nb6Cr2Se12
20
182
409.47
mp-570455
-1.25042
1.748498
-2.456334
other
Cs2Nb12I22
36
182
1,338.46
mp-1227158
11.034345
11.683374
2.963739
other
Ce2Ta14O38
54
182
691.23
mp-557640
-3.912591
-0.132925
-3.858168
other
Nb6Sn2S12
20
182
428.39
mp-1188631
-4.743163
-1.044033
-2.737397
other
Ti2Nb6Se12
20
182
416.91
mp-759209
10.179623
9.010718
-1.054702
other
Ag8Sn4O12
24
182
353.35
mp-556118
8.838724
8.901343
0.189654
other
Ba6Hg6O12
24
182
535.26
mp-1173526
-4.116181
-0.057828
-3.666463
other
Nb6Ni2S12
20
182
351.23
mp-541462
10.897087
11.772934
3.126647
other
Sr2Ta8O22
32
182
421.42
mp-545343
7.585359
6.574312
-3.104693
other
Li2I2O6
10
182
114.02
mp-1188354
-4.896307
-1.012268
-2.778425
other
Ta6V2Se12
20
182
404.13
mp-1220264
10.976358
11.803014
3.00335
other
Nd2Ta14O38
54
182
697.28
mp-753025
10.378203
0.927762
1.634401
other
Li4Mn4F12
20
182
267.33
mp-7116
-4.097434
-0.08011
-3.713921
other
Nb6Co2S12
20
182
352.56
mp-1189260
-4.127299
-0.068966
-3.816243
other
Nb6Cr2S12
20
182
356.57
mp-1188929
-4.006402
-0.137329
-3.60507
other
Ti2Nb6S12
20
182
366.87
mp-1189957
-4.058544
-0.172244
-3.376182
other
Ta6Rh2S12
20
182
347.15
mp-1189011
-4.155688
-0.138721
-3.602056
other
Ta6Cr2S12
20
182
351.8
mp-28317
-4.68014
-1.592243
-5.679892
other
Na2Cu10S6
18
182
308.88
mp-22613
-4.118301
-0.119959
-3.610224
other
Nb6Fe2S12
20
182
341.59
mp-1105840
-4.824866
-0.976012
-2.952626
other
Nb6V2Se12
20
182
409.88
mp-1190092
-4.276788
-0.105292
-3.556645
other
Ta6V2S12
20
182
353.64
mp-1189616
-4.104941
-0.204082
-3.430853
other
Ta6Fe2S12
20
182
338.67
mp-1208432
-4.045718
-0.209497
-3.570859
other
Ta6Mn2S12
20
182
340.72
mp-1120749
10.716921
11.697748
2.946061
other
Ba2Nb8O22
32
182
449.68
mp-1186227
-4.519549
-0.928967
-2.883798
other
Nb6Co2Se12
20
182
403.36
mp-3828
12.233931
7.218894
0.930866
other
Ba2Al4O8
14
182
209.63
mp-769399
10.82107
11.711694
3.211071
other
Ba2Ta8O22
32
182
433.14
mp-19285
8.428338
11.556783
-0.344009
other
Ba2Fe4O8
14
182
242.6
mp-1187280
-4.702554
-1.029013
-2.760147
other
Ta6Cr2Se12
20
182
405.27
mp-755664
-3.974858
-0.115297
-3.645856
other
Li4Ta6S12
22
182
375.49
mp-859110
11.03759
11.73628
2.862665
other
Ta14Bi2O38
54
182
697.17
mp-754676
10.553591
1.077852
1.691885
other
Li2Mn2F6
10
182
113.94
mp-15958
-4.163888
-0.017297
-3.672856
other
Nb6V2S12
20
182
359
mp-10199
-4.071001
-0.132292
-3.842406
other
Mn2Nb6S12
20
182
371.46
mp-561465
10.013236
9.959573
-0.906514
other
Tl4Sb4O12
20
182
410.67
mp-1208409
-4.079346
-0.125849
-3.540785
other
Ta6Co2S12
20
182
348.33
mp-1190037
-4.601934
-0.973361
-2.877466
other
Nb6Fe2Se12
20
182
411.11
mp-5859
13.954964
5.463675
-6.692322
other
Al12P12O48
72
184
1,500.08
mp-1219127
10.694126
11.110151
-2.022635
other
Re3Hg1O9
13
183
181.64
mp-766046
11.458185
11.239908
-2.396548
other
Tl1W3O9
13
183
181.5
mp-765995
11.320777
11.249099
-2.474051
other
Ba1W6O18
25
183
361.82
mp-29196
4.237229
2.494414
-3.239142
other
Au1C1N1
3
183
59.37
mp-766003
10.725105
11.207745
-2.856575
other
La1W9O28
38
183
574.64
mp-1220866
-8.195735
-5.020633
2.279485
other
Na1Sn2Pd3
6
183
122.94
mp-1078919
11.293139
12.360697
-3.377411
other
Cs1V2O5
8
183
169.03
mp-1223833
11.400777
11.26341
-2.344696
other
K1W3O9
13
183
181.43
mp-566332
11.413102
11.260014
-2.306636
other
Rb2W6O18
26
183
363.23
mp-1225582
-7.927827
-1.300957
4.806485
other
Er1Co3Ge2
6
183
87.77
mp-1222892
3.038153
-0.546111
-1.806025
other
La1Ni5H6
12
183
103.18
mp-27812
-1.313964
2.39887
-2.285882
other
Rb6Ti6I18
30
185
1,213.18
mp-1343327
7.09727
9.309243
-1.885652
other
Al6Ag6O18
30
185
343.77
mp-1376289
7.972239
11.431355
1.385727
other
Y6Fe6O18
30
185
376.57
mp-1376465
11.001825
8.950738
1.464357
other
Y6Sn6O18
30
185
449.9
mp-29314
-0.728934
0.995556
-4.301455
other
Rb6V6Br18
30
185
933.59
mp-772188
10.041077
8.326807
3.179806
other
Dy6Er6O18
30
185
452.19
mp-769015
10.91018
8.098541
1.528397
other
Dy6Ga6O18
30
185
380.29
mp-568231
-0.542388
1.340554
-4.769657
other
Rb6Mn6Br18
30
185
955.54
mp-753546
-3.801812
-1.197842
-5.706137
other
Li16Ti2S12
30
185
542.2
mp-1248370
12.688696
10.852618
-0.263652
other
Al6Mo6O18
30
185
320.85
mp-882825
8.926514
13.907228
-0.518134
other
Mn6In6O18
30
185
349.56
mp-772521
9.762537
11.983623
0.339292
other
Li16Ti2O12
30
185
281.14
mp-768400
-4.130078
-1.123468
-5.582612
other
Li16Fe2S12
30
185
540.9
mp-1251647
12.640537
10.355968
0.341359
other
Al6W6O18
30
185
326.18
mp-768267
10.212552
8.266637
2.008132
other
Ho6In6O18
30
185
415.99
mp-772180
10.385187
8.525864
3.177816
other
Lu6Sc6O18
30
185
391.53