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-1203300
-6.378417
-2.116055
1.034426
other
Y5Zr3Ni16As12
36
189
562.18
mp-11772
10.967659
10.169738
2.05217
other
Ba3Ti3B2O12
20
189
263.96
mp-1217703
-8.40829
-4.790557
4.80144
other
Tb3Al3Ni1Pd2
9
189
172.93
mp-7062
-4.233778
-4.439833
6.580876
other
Mg3Al9Fe1Si5
18
189
299.96
mp-1226345
-6.590223
-1.043065
2.373407
other
Cr3Ga1Fe3As2
9
189
119.16
mp-1202368
-6.376741
-2.208622
0.985757
other
Nd5Zr3Ni16As12
36
189
571.2
mp-569804
-6.391559
-2.248676
1.003561
other
Er5Zr3Ni16As12
36
189
550.63
mp-17059
14.4931
4.728806
-6.278598
other
K6Nb6Si4O26
42
189
588.36
mp-1224233
-7.348799
-2.044726
5.729013
other
Ho3Mn3Ga2Ge1
9
189
175.14
mp-1216771
-7.325103
-2.997398
4.84784
other
U3Al3Co1Ru2
9
189
161.1
mp-10209
-7.32021
-4.577662
6.252154
other
Y3Al3Ni1Ge2
9
189
173.27
mp-1210234
7.597018
11.295706
0.157762
other
Na4Ho2Ir3O12
21
189
246.48
mp-570450
-7.228205
-1.935465
5.828745
other
Tm3Mn3Ga2Si1
9
189
165.19
mp-1226425
-6.629984
-1.009209
2.421054
original
Cr3Fe3Ge1As2
9
189
118
mp-1196994
-6.391848
-2.159091
1.088131
other
Lu5Zr3Ni16As12
36
189
544.99
mp-541626
12.819065
7.34741
-0.30782
other
K6Nb6Ge4O26
42
189
611.49
mp-1080528
-7.285975
-3.102491
4.668792
other
U3Al3Ni1Ru2
9
189
162.66
mp-568631
-7.229029
-1.972209
5.749885
other
Lu3Mn3Ga2Si1
9
189
161.36
mp-1225846
-7.40513
-2.104127
5.62378
other
Er3Mn3Ga2Ge1
9
189
176.7
mp-1205128
-6.400523
-2.177348
1.038033
other
Ho5Zr3Ni16As12
36
189
551.54
mp-1224021
-7.571745
-6.342421
5.644691
other
Ho3Er3Mn1Bi2
9
189
250.81
mp-1210255
13.384635
4.815462
-1.354232
other
Na3Nd9B8O27
47
189
576.96
mp-1210185
7.561017
11.31754
0.012945
other
Na4Y2Ir3O12
21
189
249.77
mp-16855
14.437915
4.582116
-6.005167
other
K6Ta6Si4O26
42
189
579.22
mp-1201911
-6.331827
-2.246756
0.988003
other
Tb5Zr3Ni16As12
36
189
562.5
mp-1210209
7.570393
11.287847
0.172303
other
Na4Er2Ir3O12
21
189
247.07
mp-1210282
13.448254
4.798593
-1.351309
other
Na3Sm9B8O27
47
189
558.2
mp-567416
-7.231867
-1.949656
5.840691
other
Ho3Mn3Ga2Si1
9
189
169.61
mp-21038
-7.284695
-2.056194
5.890678
other
Dy3Mn3Ga2Si1
9
189
171.9
mp-22582
-7.253173
-2.017797
5.927967
other
Tb3Mn3Ga2Si1
9
189
174.47
mp-12388
-7.477533
-4.277547
5.959108
other
Er3Al3Ni1Ge2
9
189
170.96
mp-1202061
-5.251018
-7.267128
2.013951
other
K38Na12Tl48Au2
100
189
3,905.33
mp-6760
13.387776
4.780225
-1.357669
other
Na3La9B8O27
47
189
606.61
mp-1217170
-6.74873
-1.392938
3.901949
other
Ti3As2P1Os3
9
189
130.9
mp-1210223
7.595814
11.324904
0.061767
other
Na4Tb2Ir3O12
21
189
249.72
mp-561406
10.837693
11.795093
2.811118
other
K12Nb24V4O76
116
189
1,780.8
mp-1196188
-6.34302
-2.135884
0.931051
other
Pr5Zr3Ni16As12
36
189
571.85
mp-6169
14.640671
4.394386
-6.623127
other
Ba3Ta6Si4O26
39
189
549.09
mp-570867
-7.302176
-1.881541
5.819292
other
Er3Mn3Ga2Si1
9
189
167.27
mp-638731
8.700933
3.526383
-6.907253
other
La3C3O9F3
18
189
229.13
mp-1224001
-7.586733
-6.354123
5.698322
other
Ho3Er3Mn1Bi2
9
189
250.61
mp-1210643
10.421485
6.582867
-2.840725
other
Na3Eu9B8O27
47
189
569.38
mp-571315
-4.04484
-4.597676
6.514919
other
Mg3Al8Fe1Si6
18
189
301.82
mp-9870
14.000035
5.054105
-4.163288
other
K3Ta3B2O12
20
189
270.08
mp-1095649
8.309088
4.313568
-4.581983
other
Sr2H3N1O6
12
189
139.8
mp-981207
-7.357655
-6.081212
3.514628
other
Yb3In3Ge2Au1
9
189
211.11
mp-1102112
-4.731821
0.306823
-4.775851
other
V3Ag2Te1S6
12
189
213.29
mp-1205920
-7.576613
-4.079714
5.871313
original
Er3Al3Co1Ge2
9
189
170.83
mp-6101
14.655375
4.635901
-6.590415
other
Ba3Nb6Si4O26
39
189
557.88
mp-1199844
8.530123
1.7629
-0.200152
other
Ba3B3P3F30
39
189
607.43
mp-1200970
-6.32564
-2.245272
0.973348
other
Sm5Zr3Ni16As12
36
189
576.32
mp-17103
14.492686
4.561444
-6.291756
other
Sr3Ta6Si4O26
39
189
547.32
mp-1207411
2.814404
-0.431785
-1.688759
other
Zr12Ga4Ni2H20
38
190
403.72
mp-1207402
2.866332
-0.425536
-1.74445
other
Zr12Al4Fe2H20
38
190
410.05
mp-557381
11.884931
8.813708
1.284015
other
Rb6U6Ge4O26
42
190
727.11
mp-1207523
2.829463
-0.424283
-1.71941
other
Zr12Fe2Sn4H20
38
190
426.42
mp-554650
8.361035
5.000963
-3.935208
other
La2H12Cl6O18
38
190
482.59
mp-1207445
2.8301
-0.462348
-1.708739
other
Zr12Ga4Co2H20
38
190
404.78
mp-558320
12.019487
8.635882
1.09424
other
K6U6Si4O26
42
190
684.84
mp-24672
2.830515
-0.445835
-1.683051
other
Zr12Ni2Sn4H20
38
190
425.33
mp-707424
10.519157
4.554087
-4.575824
other
Al4H24Se6O30
64
190
707.06
mp-559346
14.50948
4.72399
-6.318274
other
K6Nb6Si4O26
42
190
589.87
mp-541485
7.75019
10.501951
1.348707
other
Ba6Ca2Ru4O18
30
190
461.32
mp-772287
13.113559
6.590192
-1.115956
other
Li4Si24Ni10O60
98
190
1,283.74
mp-20288
8.940729
3.413772
-7.084404
other
Ce6C6O18F6
36
190
437.95
mp-775349
12.33584
6.881375
-1.404654
other
Li8Cr4Si24O60
96
190
1,236.34
mp-697624
2.866297
-0.461203
-1.716949
other
Zr12Al4Ni2H20
38
190
408.47
mp-1224568
13.454762
6.695337
-0.923572
other
K4Mn10Si24O62
100
190
1,399.03
mp-556215
7.915615
6.911271
-2.293887
other
K18Li6I4O26
54
190
924.29
mp-1199126
7.348966
7.726457
-3.778589
other
Ca6Mn2S4O34
46
190
685.23
mp-541995
12.323392
6.637417
0.19455
other
La6Si6O18F6
36
190
470.92
mp-1207462
2.839842
-0.478425
-1.700116
other
Zr12Co2Sn4H20
38
190
424.68
mp-1224161
12.970392
6.274996
-0.693203
other
K4Mg10Si24O60
98
190
1,332.04
mp-24670
2.88056
-0.493357
-1.733124
other
Zr12Al4Co2H20
38
190
408.5
mp-1221511
12.972717
6.257177
-0.714624
other
Na4Mg10Si24O60
98
190
1,318.51
mp-850291
13.665514
6.888762
-0.862202
other
Li4Mn10Si24O60
98
190
1,376.37
mp-1207506
2.816022
-0.398111
-1.727388
other
Zr12Ga4Fe2H20
38
190
403.57
mp-1102704
-8.269044
0.406817
4.614123
other
Nd2Fe2Co6B2
12
191
154.77
mp-1208950
-7.375844
-2.155748
3.386998
other
Sm1Mn6Sn4Ge2
13
191
220.81
mp-1208494
-7.347605
-2.014261
3.341317
other
Tb1Mn6Sn4Ge2
13
191
214.92
mp-1212093
-7.241945
-1.286127
3.014184
other
Ho1Fe6Sn4Ge2
13
191
211.84
mp-1213018
-7.262624
-1.26458
2.995228
other
Dy1Fe6Sn4Ge2
13
191
210.23
mp-6072
-7.528825
-1.964046
3.307286
other
Tm1Mn6Ga2Sn4
13
191
218.41
mp-1207690
-7.310205
-2.022197
3.302699
other
Tm1Mn6Sn4Ge2
13
191
213.24
mp-1227643
-9.379747
-3.844025
3.342595
other
Ca2Eu1Zn9Ni6
18
191
303.53
mp-1220135
-8.657129
0.356174
4.376635
other
Nd1Y3Co16B4
24
191
301.72
mp-1101797
-8.224187
0.476043
4.524523
other
Y2Fe2Co6B2
12
191
149.83
mp-1222740
-8.665847
0.377992
4.432845
other
La1Y1Co8B2
12
191
151.19
mp-23083
11.513577
7.767473
-2.733868
other
K1As4Br1O6
12
191
228.57
mp-1215332
-7.448244
-2.195781
3.234226
other
Zr1Mn6Ga2Sn4
13
191
219.6
mp-1213165
-7.376425
-2.109907
3.349294
other
Dy1Mn6Sn4Ge2
13
191
217.99
mp-1209064
-7.28019
-1.860539
3.293189
other
Sc1Mn6Sn4Ge2
13
191
209.27
mp-1210094
11.570221
7.7194
-2.640141
other
Na1As4I1O6
12
191
228.69
mp-1103461
11.110822
7.656192
-3.387568
other
As4Br1N1O6
12
191
236.53
mp-1215391
-7.474181
-2.267383
3.285443
other
Zr1Mn6Ga2Sn4
13
191
218.46
mp-556233
11.559046
7.78763
-2.801848
other
K1As4Cl1O6
12
191
213.8
mp-1210833
-7.304232
-1.996374
3.320401
other
Lu1Mn6Sn4Ge2
13
191
212.96
mp-633668
-6.003512
-6.997728
2.642482
other
K23Na8Cd12In48
91
191
2,680
mp-1103082
-8.804083
0.305397
4.215359
other
Sm2Co6Ni2B2
12
191
150.25
mp-643141
-4.969122
-5.08951
4.151577
other
K2Si2Pb2O1
7
191
179.02