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-1181521
-4.222899
-6.213659
1.674318
other
Cs2Ge2
4
63
169.34
mp-642363
12.744656
7.5576
0.189879
other
Al4O6
10
63
84.34
mp-1043362
11.363563
11.837312
2.773118
other
Ta4O10
14
63
258.87
mp-1077466
-6.132132
-5.823007
0.893207
other
Ca2Bi4
6
63
187.79
mp-655448
-6.958046
-4.369048
5.554439
other
Dy6Ge8
14
63
306.15
mp-1043388
13.135138
12.284221
-0.696864
other
V8O12
20
63
242.81
mp-1326275
9.439376
13.0742
-0.967488
other
Fe10O14
24
63
289.24
mp-12351
-5.826018
-3.538663
-1.655971
other
Pr2Te6
8
63
262.31
mp-640041
-9.377619
-5.544602
3.647386
other
Nb2Zn32
34
63
495.03
mp-1018073
-7.996051
-5.687974
6.049825
other
Ho2Ga2
4
63
93
mp-740
-5.861278
-3.575264
-1.610269
original
Nd2Te6
8
63
259.15
mp-1097041
7.566556
9.623377
-2.936226
other
Ir8O24
32
63
371.95
mp-16528
-6.470174
-2.668236
6.531285
other
Al12Re2
14
63
223.78
mp-13683
-6.478816
-3.751196
4.304356
other
Hf2Ge4
6
63
106.39
mp-1106034
-7.08079
-7.04129
5.000319
other
Th6Tl10
16
63
464.06
mp-1386640
10.65433
12.423712
2.09171
other
Ti4O8
12
63
144.74
mp-647192
5.777684
2.258243
-2.999032
other
C112Cl20
132
63
1,777.45
mp-31502
-7.70637
-7.021455
3.016142
other
Sc2Cd14
16
63
344.62
mp-249
-6.050829
-3.182657
4.68897
other
Hf2Al2
4
63
74.84
mp-30613
-7.17002
-5.667657
3.723534
other
Er2Sn4
6
63
153.92
mp-975422
8.085306
1.587967
-0.489601
other
Rb2F6
8
63
168.85
mp-1080021
-4.618339
0.489577
3.067379
other
Nb4B6
10
63
102.06
mp-20021
-7.131165
-5.73686
3.801019
other
Dy2Sn4
6
63
156.84
mp-1025470
-5.869274
-3.469413
-1.627158
other
Lu2Te6
8
63
253.5
mp-1073693
-2.298533
-6.836318
7.677467
other
Mg6Si6
12
63
224.33
mp-1104531
-5.861538
-3.632594
-1.532802
other
Sm4Te10
14
63
431.55
mp-555599
-4.800642
-1.374341
-5.68842
other
Cu6S6
12
63
200.35
mp-1105835
-8.051928
-6.404002
5.477568
other
Y6In10
16
63
412.89
mp-1008492
1.444744
2.703957
-4.357634
other
Br2Cl2
4
63
151.6
mp-1179094
3.397346
-0.652121
-2.376606
other
Sr2H4
6
63
84.06
mp-1179108
7.627028
8.293899
-1.860817
other
Sc2O4
6
63
77.53
mp-1069
-5.27923
-3.340753
4.688087
other
Hf2Si4
6
63
97.08
mp-1094275
-5.092669
-3.103779
4.142577
other
Mg2Ti4
6
63
112.75
mp-513
-6.759115
-4.342386
5.118558
original
Er2Ge6
8
63
160.69
mp-1067644
1.117782
2.523412
0.663196
other
Pd2N2
4
63
89.39
mp-1189084
-7.199843
-5.708945
3.861043
other
Ce6Sn10
16
63
452.76
mp-13037
-6.840661
-4.49402
5.354564
other
Tm2Ge4
6
63
122.53
mp-27978
-1.363313
2.105882
-2.298994
other
Pu2I6
8
63
317.15
mp-1046066
8.967986
14.879878
-0.807591
other
Mn10O14
24
63
294.96
mp-776658
9.203328
8.474596
1.920778
other
Ba16O16
32
63
687.22
mp-1094422
-7.817319
-10.602406
4.991367
original
Mg4Zn2
6
63
113.87
mp-999143
-6.611999
-6.248228
3.263093
other
Sr2Pd2
4
63
109.02
mp-1186892
-6.143291
-11.218908
5.563125
other
Rb2Mg4
6
63
253.16
mp-1066480
-6.159307
-3.453628
-2.32493
other
Cd2Te2
4
63
115.55
mp-796276
10.251184
10.50115
-3.781543
other
Mo2O6
8
63
101.42
mp-978259
-4.94711
-5.287279
0.422933
other
Mg4As2
6
63
167.01
mp-1094281
-4.911688
-7.449302
3.537672
other
Sr8Mg4
12
63
520.27
mp-1094495
-7.834186
-9.553961
6.949312
other
Y2Mg4
6
63
161.43
mp-1043379
11.428638
12.72427
-0.348646
other
Cr8O12
20
63
232.48
mp-1073568
-3.00752
-5.1813
6.8185
other
Mg2Si4
6
63
103.6
mp-981211
-6.879434
-6.374121
2.744367
other
Zn2In6
8
63
200.52
mp-1077823
10.055941
9.700924
-1.502918
other
Te2O4
6
63
74.7
mp-556
-7.046997
-3.312301
3.879426
other
Zr2Ni2
4
63
66.14
mp-1039255
-7.213566
-10.75954
4.696676
other
Mg4Cd2
6
63
130.78
mp-1104514
-6.951392
-4.394766
5.628742
other
Lu6Ge8
14
63
288.47
mp-1480
-4.011247
-4.989117
5.760428
other
Ba2Si12
14
63
283.31
mp-30933
-5.81199
-4.317411
2.281031
other
Zr6Bi6
12
63
305.05
mp-31380
-8.721875
-6.022387
4.798932
other
Sm2Pd2
4
63
93.74
mp-1039330
-6.238922
-10.453587
5.777731
other
Ca2Mg4
6
63
173.14
mp-2349
-8.056485
-7.265303
4.043762
other
Y2Cd6
8
63
186.22
mp-1080340
-4.017585
-3.862096
-3.278132
other
Ce2Se4
6
63
144.03
mp-1046542
8.334109
2.205763
-0.891975
other
Sb2F10
12
63
177.01
mp-1071567
-7.109776
-5.751483
3.735164
other
Gd2Sn4
6
63
160.99
mp-30619
-6.030228
-3.634644
3.956674
other
Zr6Co2
8
63
158.21
mp-1045759
12.787404
10.327443
1.995539
other
Ti10O14
24
63
277.16
mp-1087512
-5.809784
-3.459762
-1.670765
other
Tm2Te6
8
63
243.01
mp-600029
15.688464
5.648113
0.37291
other
Si24O48
72
63
1,264.55
mp-1072655
-8.571077
-4.339061
4.13325
other
Zr2Cu4
6
63
91.18
mp-30840
-8.143243
-4.226791
2.68791
original
Ti4Pd6
10
63
154.56
mp-7083
-5.044644
-4.426132
6.033167
other
La4Si4
8
63
205.84
mp-1094235
-6.316988
-6.444291
2.105633
other
Mg2Sn4
6
63
155.19
mp-1192280
-6.361986
-4.099677
3.898916
other
U8Ga8
16
63
319.03
mp-542388
-7.648418
-6.50707
6.780749
other
Lu14Te2
16
63
452.35
mp-1185823
-8.07122
-6.839687
2.329467
other
Mg2Ag4
6
63
106.1
mp-976378
-7.354294
-6.098791
4.189058
other
La6Sn8
14
63
438.28
mp-2430
-6.457563
-3.652918
4.140867
other
Zr2Ge4
6
63
109.53
mp-570001
-6.81264
-2.117827
6.574283
other
Al12Fe2
14
63
204.49
mp-1094196
-6.927864
-10.510856
4.251817
other
Mg4Sn2
6
63
143.72
mp-1038882
-7.33148
-7.106616
2.527825
other
Mg2Cd4
6
63
128.38
mp-1039382
-6.331079
-10.402343
5.816936
other
Ca2Mg4
6
63
170.81
mp-1046820
7.123553
11.008008
-1.115821
other
Cu8O12
20
63
214.79
mp-1186483
-7.175593
-7.185865
6.50314
other
Pm4Mg2
6
63
186.32
mp-999335
-8.596432
-5.350846
5.863215
other
Nd2Rh2
4
63
91.08
mp-1008487
-5.395137
0.35343
3.263569
other
B2W2
4
63
41.5
mp-1188539
-6.215591
-7.468304
3.069872
other
Sr6Tl10
16
63
536.09
mp-985805
-7.80234
-6.547625
2.565551
other
Al2Ag4
6
63
98.65
mp-1102799
-7.355289
-1.263706
5.449053
other
Sm4Mn8
12
63
217.89
mp-1183246
3.327767
-0.720286
-2.319726
other
Al6H18
24
63
233.33
mp-1094677
-6.299556
-5.718474
0.548689
other
Mg2Bi4
6
63
173.18
mp-560920
15.595428
5.656756
0.351535
other
Si32O64
96
63
1,955.29
mp-18636
-6.243135
-6.638219
2.867299
other
Ba6Sn10
16
63
574.68
mp-1183085
-6.566036
-7.808188
5.418327
other
Ac4Mg2
6
63
235.38
mp-1185844
-8.541464
-5.916009
1.990608
other
Mg2Au4
6
63
104.76
mp-10651
-4.438182
-5.29157
5.405964
other
Yb2Si2
4
63
93.58
mp-1185916
-6.655192
-6.820971
2.891454
other
Mg2In4
6
63
144.85
mp-12607
-8.315608
-4.900625
4.481785
other
Pr2Pt2
4
63
98.6
mp-1094424
-7.236947
-6.825159
6.671452
other
Y4Mg2
6
63
180.6
mp-9399
-5.876064
-3.539908
-1.632398
other
Sm2Te6
8
63
253.79
mp-639724
15.697268
5.616145
0.40945
other
Si16O32
48
63
968.44
mp-571486
-5.508285
-2.678273
-4.327135
other
Cu6Se6
12
63
234.94