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-1192251
-5.449571
-2.924888
2.958746
other
Hf14As8
22
12
426.68
mp-1073013
-2.36783
-5.632443
7.322563
other
Mg8Si12
20
12
364.63
mp-758601
10.461966
0.278928
0.197431
other
Mn2F6
8
12
118.24
mp-1228956
-8.588345
-5.922246
2.279515
other
Al1Au4
5
12
90.4
mp-1228854
-7.994127
-1.924418
3.099091
other
Al1Ni1
2
12
24.9
mp-1038955
-7.70261
-8.715134
6.164425
other
Ce2Mg4
6
12
152.78
mp-1271165
9.328515
1.017085
-0.805709
other
Co4F12
16
12
228.53
mp-1179520
-7.961648
-5.174705
5.007613
other
Sc10Ga6
16
12
335.51
mp-1079480
-8.010208
-5.99813
6.17962
other
Tb6Ni4
10
12
223.92
mp-1217149
12.763888
10.003823
1.929927
other
Ti9O10
19
12
218.8
mp-1184866
-7.77527
-9.694719
6.62747
other
Ho1Mg5
6
12
144.91
mp-1179488
13.908901
6.495218
-0.904238
other
Si28O56
84
12
1,416.85
mp-1404844
11.926021
11.146281
-1.8739
other
W3O8
11
12
168.11
mp-7808
-3.512889
-4.108804
0.628304
other
Ba2P6
8
12
201.85
mp-556584
10.003412
8.463958
3.194463
other
Pm6O9
15
12
228.76
mp-1210582
-9.409505
-5.495006
3.294319
other
Mn1Zn13
14
12
215.32
mp-556995
9.736638
8.355485
3.121634
other
Nd6O9
15
12
235.99
mp-1079143
-7.706826
-1.546216
4.034299
other
Co4Ge4
8
12
129.05
mp-976843
-5.74463
-7.126066
3.531893
original
Li4Mg2
6
12
121.26
mp-567525
-5.833924
-2.929382
-1.9597
other
Te2Au1
3
12
79.19
mp-18254
-5.377058
-2.118258
2.60551
other
Nb14P8
22
12
350.97
mp-1095641
-2.606926
-2.818006
-5.427169
other
Tb5S7
12
12
276.66
mp-1186828
-3.965984
-7.05624
1.923968
other
Rb4Mg2
6
12
370.96
mp-1096898
0.182017
2.182589
2.211746
other
Cr9N6
15
12
135.85
mp-1025159
-6.167614
-2.363532
-0.705562
other
Te4Rh3
7
12
155.28
mp-758933
-2.689926
1.82921
2.613365
other
B48O6
54
12
403.05
mp-1073663
-2.591582
-5.37306
7.006349
other
Mg4Si8
12
12
216.19
mp-1179688
-3.605319
-4.538288
0.86135
other
Rb1P1
2
12
87.28
mp-1101787
-4.052075
-4.784504
6.041768
other
La2Si10
12
12
240.8
mp-756436
12.172217
11.816623
-0.081429
other
Fe2O2
4
12
43.08
mp-1216463
-4.751127
0.050389
-4.169127
original
V7S8
15
12
213.06
mp-32795
10.955973
11.107414
-1.728675
other
Re3O8
11
12
128.25
mp-690772
-4.800606
0.367127
-4.575172
other
V5S8
13
12
219.19
mp-570538
4.863933
3.043572
-3.354587
other
Na1N3
4
12
60.2
mp-22777
4.647107
3.998149
-3.969521
other
Na1N3
4
12
56.46
mp-615993
15.64141
5.659826
0.37522
other
Si14O28
42
12
770.01
mp-568018
-5.180825
-6.016514
0.415798
other
Rb2Sb4
6
12
249.77
mp-1094584
-6.760253
-9.690194
2.984079
other
Mg4Sb2
6
12
145.69
mp-1225993
-4.460413
-1.569066
-5.554187
other
Cu4S2
6
12
151.94
mp-1185920
-6.576773
-6.797508
2.854633
other
Mg2In4
6
12
152.96
mp-9254
-5.954873
-3.321851
-2.063588
other
Al2Te5
7
12
240.28
mp-545796
7.677686
10.138765
-3.859086
other
Cr3O8
11
12
168.61
mp-1219775
-6.274582
-4.477577
3.177247
other
Pu1In1
2
12
53.97
mp-1105338
8.322181
10.153787
-0.918231
other
Ti6O14
20
12
284.16
mp-571247
-6.389501
-1.399967
5.368419
other
Al12Mo4
16
12
239.09
mp-1402363
0.638124
2.74754
1.832741
other
Mo2N4
6
12
77.67
mp-28034
-3.528121
-3.679661
0.632145
other
Cu8P28
36
12
637
mp-1179938
1.866045
2.654443
-4.39585
other
Pt6Cl12
18
12
688.15
mp-2360071
-0.426751
1.352102
-4.251486
other
Cu1Br2
3
12
90.99
mp-1220085
-6.182454
-2.353986
-0.806691
other
Ni3Te4
7
12
142.27
mp-1185865
-6.292545
-7.841361
3.860553
other
Mg2Ge2
4
12
78.21
mp-1045826
11.667006
12.451015
-0.184141
other
Cr9O13
22
12
256.62
mp-1094211
-6.871213
-10.386238
4.229801
other
Mg4Sn2
6
12
144.49
mp-567919
-6.527336
-2.468001
6.308587
other
Al45V7
52
12
821.64
mp-1097933
-4.910579
-7.44846
3.538653
other
Sr4Mg2
6
12
259.48
mp-27793
-5.147064
-2.079606
2.901781
original
Nb8Se4
12
12
228.09
mp-1077263
-3.974451
-0.106568
-4.406775
other
Ti2S4
6
12
176.77
mp-1208221
-5.606558
-2.315356
-1.4215
other
Ti5Te8
13
12
342.12
mp-1179684
-4.019942
-1.931294
-4.188564
other
Rb1S1
2
12
453.6
mp-1073224
-2.175744
-5.69558
7.385565
other
Mg8Si12
20
12
367.13
mp-643084
9.742857
8.392827
3.040023
other
Gd6O9
15
12
217.25
mp-1207504
-9.657655
-4.944639
3.20824
other
Zn22Ni3
25
12
341.12
mp-1105985
-6.368421
-5.57293
0.302093
other
Bi14Mo5
19
12
523.71
mp-1094177
-7.020366
-6.555675
6.331422
other
La4Mg2
6
12
198.74
mp-755333
7.330086
5.920332
-3.253721
other
Hg1O2
3
12
47.78
mp-1178763
-4.720179
0.329848
-4.611583
other
V2S4
6
12
206.12
mp-540538
-7.422063
-0.22001
4.331678
other
Ga12Fe9
21
12
290.57
mp-1267863
-2.403401
-5.548756
7.305989
other
Mg8Si12
20
12
357.95
mp-18654
-6.901894
-1.503363
4.35311
other
Cr9Ga12
21
12
300.48
mp-1096769
1.13042
2.263495
-4.76817
other
Ni6Cl8
14
12
245.43
mp-1185777
-7.770524
-8.868287
6.282151
other
Mg4Sc2
6
12
140.03
mp-1407329
0.570367
2.697166
1.882843
other
W2N4
6
12
76.65
mp-2659
5.102782
2.948581
-3.291316
other
Li1N3
4
12
42.09
mp-31007
-0.293753
0.577258
-3.018949
other
Tb5Br8
13
12
423.47
mp-1094561
-5.7449
-5.532127
0.437995
other
Mg2Sb4
6
12
157.59
mp-17880
-7.212576
-2.260675
6.048621
other
Al39Ru12
51
12
782.02
mp-1205955
-5.464472
-6.303127
0.847243
other
K5Bi4
9
12
385.77
mp-1192095
1.877016
2.703828
-4.78718
other
Cr6Cl18
24
12
647.67
mp-1025067
-6.742366
-2.026097
3.843016
other
Re2Ge4
6
12
96.7
mp-1588
7.203829
2.500641
-3.005606
other
C22F14
36
12
511.58
mp-571377
1.467239
2.346973
-4.626668
other
Ti6Cl18
24
12
625.05
mp-1094812
-7.346311
-7.107837
2.53386
other
Mg4Cd8
12
12
255.2
mp-1064715
6.484223
3.854456
-3.096261
other
Na1N3
4
12
41.25
mp-917
-0.723696
0.670831
0.50683
original
Ca2C4
6
12
97.24
mp-726184
-3.291758
-2.106128
-5.54785
other
Pb2S2
4
12
294.33
mp-1094135
6.932273
5.848521
-3.198144
other
Li2O4
6
12
54.99
mp-2409
-6.760972
-2.144385
1.14374
other
Ni10Sb4
14
12
186.1
mp-714883
12.904832
11.049881
-0.943376
other
Mo1O2
3
12
41.6
mp-1078181
-0.249866
1.202516
-4.104634
other
Si2Br6
8
12
289.98
mp-1104276
-9.302958
-1.33385
2.908495
original
Er3Ni12
15
12
203.13
mp-1095275
-3.55779
-3.875443
0.441864
other
Ge6P6
12
12
270.67
mp-777698
13.162159
12.725673
-0.941208
other
V6O9
15
12
158.05
mp-634867
8.754717
4.033935
-0.354075
other
Ti1F3
4
12
36.4
mp-1073361
-2.443281
-5.443387
7.131338
other
Mg4Si8
12
12
217.15
mp-1038936
-6.117606
-6.016853
0.487596
other
Mg2Bi2
4
12
109.96
mp-662804
-8.77818
-4.927964
3.259259
other
Sm20Pd42
62
12
1,208.67
mp-1208223
-3.960642
-0.140654
-4.307648
other
Ti5S8
13
12
235.92
mp-1080523
-8.227105
-5.980405
6.308488
other
Ho6Ni4
10
12
217.75
mp-2461
-6.328473
-5.990091
4.255049
other
Ca1Ga4
5
12
98.32
mp-1094190
-7.01191
-6.513763
6.339572
other
La4Mg2
6
12
195.06