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-1001023
-1.155906
0.01444
-0.024891
other
Be2C4
6
136
58.4
mp-8282
0.560545
1.27055
2.820092
other
Ti4N2
6
136
74.01
mp-1106087
-7.011707
-5.578711
5.345767
other
Ce12Ga8
20
136
506.65
mp-862855
11.745975
9.0737
2.380302
other
Pa2O4
6
136
98.18
mp-1193848
-6.194606
-3.395198
4.155983
other
Zr20Re10
30
136
593.81
mp-867166
11.506486
9.102135
2.76272
other
Pu2O4
6
136
91.69
mp-775909
10.741203
10.06601
3.795269
other
Zr2O4
6
136
77.22
mp-1184879
-0.018999
1.65297
-4.073727
other
I2Br4
6
136
269.27
mp-1188283
-6.490822
-0.859453
3.651536
other
V16N2
18
136
223.66
mp-18614
-8.241079
-4.962703
3.677485
other
In12Rh4
16
136
356.31
mp-23710
3.407428
-0.602973
-2.543258
other
Mg2H4
6
136
59.97
mp-20725
5.970809
8.74774
-1.890882
other
Pb2O4
6
136
85.05
mp-1094222
-5.40032
-4.373239
4.208193
other
Hf4Mg2
6
136
160.22
mp-18167
-6.115287
-7.177791
3.803018
other
Ca12Cd8
20
136
624.22
mp-867500
-1.148286
1.875959
-2.148899
other
Pu2I4
6
136
263.28
mp-1071541
-0.51373
0.931143
-4.144433
other
Yb2Br4
6
136
202.74
mp-865716
1.296469
2.272718
-5.252025
other
Yb2Cl4
6
136
169.74
mp-1207622
-8.368174
-3.906421
2.95653
other
Yb10Pt18
28
136
536.98
mp-776532
10.753112
9.94243
3.646768
other
Hf2O4
6
136
74.27
mp-1187158
-0.1834
0.866262
-3.858806
other
Sr2Br4
6
136
236.24
mp-1192954
-5.830026
-2.324168
3.587487
other
Nb20Pt10
30
136
515.53
mp-976802
8.168088
1.400704
-0.277496
other
K2F4
6
136
120.94
mp-1080268
-4.283485
-4.456142
-3.422904
other
Ce2Se4
6
136
194.74
mp-725
8.3295
11.574812
-0.873448
other
Rh2O4
6
136
62.22
mp-867358
0.91757
1.648708
-4.727291
other
Pu2Cl4
6
136
184.21
mp-1039208
-5.469681
-7.34358
3.71781
other
Ca4Zn2
6
136
219.64
mp-18427
-5.445506
-2.618632
3.56555
other
Nb20Al10
30
136
517.57
mp-850222
5.089791
10.801757
-2.473116
other
Fe2O4
6
136
63.25
mp-974603
8.292402
1.526259
0.103468
other
Hg2F4
6
136
100.4
mp-13151
3.230291
2.662517
0.274617
other
B4N4
8
136
49.92
mp-982734
0.597268
2.667665
1.911048
other
W2N4
6
136
69.75
mp-856
9.728703
10.001288
0.067389
other
Sn2O4
6
136
72.82
mp-862565
-0.31708
0.46705
-3.396485
other
Sc2Br4
6
136
169.61
mp-1188363
-5.122353
-7.39748
2.955639
other
Na12Ru4
16
136
424.59
mp-10845
-6.073429
-2.282561
-0.761466
other
Te4Ir2
6
136
158.05
mp-1193202
-6.270701
-0.689824
3.563948
other
Mo20Ru10
30
136
462.34
mp-22904
1.180225
1.973713
-5.321385
other
Ca2Cl4
6
136
171.67
mp-560902
10.747173
0.649632
1.84903
other
Mn2F4
6
136
78.61
mp-864641
0.689175
1.072349
-3.790341
other
Ho2Cl4
6
136
163.33
mp-21596
-5.504627
-6.256227
3.667197
other
Ba12Ge16
28
136
922.95
mp-1873
9.124473
1.048964
1.016849
other
Zn2F4
6
136
69.29
mp-980938
-7.389555
-6.050717
6.489672
other
Tb12Al8
20
136
519.21
mp-7599
12.721015
5.809087
-1.59848
other
Be4O4
8
136
57.03
mp-6947
12.380232
6.987638
-1.228082
other
Si2O4
6
136
48.27
mp-2019999
6.163394
9.080611
-1.363274
other
Bi4O8
12
136
184.73
mp-1207421
-5.904426
-3.752569
3.7843
other
Zr12Zn8
20
136
392.64
mp-862773
-1.530161
1.937884
-3.095195
other
Te2I4
6
136
328.01
mp-1188393
-7.675556
-2.936177
4.8358
other
Ga12Re4
16
136
294.7
mp-20488
9.081317
1.693074
-0.498126
other
Cr4F16
20
136
245.74
mp-510408
8.212657
14.337873
-1.687294
other
Mn2O4
6
136
55.52
mp-1077353
2.849019
-0.387118
-1.798044
other
Ti2H4
6
136
48.84
mp-861727
-0.38536
0.590675
-3.657742
other
Pu2Br4
6
136
213.87
mp-1188702
-4.935956
-7.358324
2.847126
other
Na12Os4
16
136
431.96
mp-1018664
9.474968
8.54979
2.94284
other
Ce2O4
6
136
95.87
mp-867259
1.46338
2.416609
-4.282965
other
Rh2Cl4
6
136
120.71
mp-570232
1.142674
1.880647
-5.151215
other
Tb4Cl12
16
136
481.18
mp-20994
12.738538
10.546045
1.87858
other
Ta2O4
6
136
72.11
mp-861871
-0.719271
1.991166
-3.276479
other
Se2I4
6
136
269.11
mp-1039029
-5.533047
-7.525125
2.382553
other
Mg2Cd4
6
136
197.36
mp-1184708
-0.291207
1.158047
-4.405295
other
Ge2Br4
6
136
182.95
mp-555908
10.228815
0.494597
-0.184909
other
Co2F4
6
136
68.98
mp-862871
1.443309
2.318114
-5.175534
other
Pb2Cl4
6
136
201.93
mp-11725
6.756496
4.976872
-4.695418
other
C2O4
6
136
86.2
mp-680640
1.626822
1.777263
1.206739
other
Ca22N16
38
136
711.94
mp-973953
0.764405
1.197347
-4.011415
other
Nd2Cl4
6
136
184.34
mp-607450
-8.358012
-4.990143
3.839592
other
In12Ru4
16
136
361.3
mp-1184048
-5.952041
-7.073514
3.592057
other
Eu4N2
6
136
143.8
mp-865305
11.715979
8.594983
1.898487
other
U2O4
6
136
94.79
mp-16508
-7.72099
-5.999236
6.39428
other
Lu12Al8
20
136
475.36
mp-1018886
7.385558
10.308786
-1.762851
other
Pd2O4
6
136
64.34
mp-639874
-5.269913
-2.723002
3.680406
other
Ta20Al10
30
136
533.01
mp-1619
-3.972737
-5.510011
5.122088
other
Ba12Si16
28
136
886.4
mp-1184741
-0.258486
0.620582
-3.198578
other
Ho2Br4
6
136
192.7
mp-1187178
-1.227465
1.97523
-1.727439
other
Sr2I4
6
136
296.34
mp-1186558
-0.416351
0.637072
-3.375041
other
Pm2Br4
6
136
205.05
mp-1014265
0.694504
1.230711
2.841247
other
Zr4N2
6
136
96.92
mp-17974
-6.454304
-7.376687
2.425073
other
Na12Hg8
20
136
545.86
mp-757186
10.594925
0.081319
0.242584
other
Mn4F12
16
136
219.38
mp-978846
-1.23097
2.527056
-3.102602
other
Sn2I4
6
136
265.69
mp-8462
-5.947728
-3.435599
4.438454
other
Hf12Al8
20
136
389.99
mp-862373
-2.791321
-2.346275
-5.619155
other
Sc2S4
6
136
138.58
mp-1147607
-4.027381
-1.232699
-5.682293
other
In2S4
6
136
149.89
mp-12875
11.835582
11.055386
-0.259845
other
Re2O4
6
136
66.53
mp-765663
10.324381
2.734613
1.507188
other
V4F12
16
136
214.19
mp-1205302
11.642694
11.098698
0.649434
other
Tc2O4
6
136
63
mp-16723
-7.463787
-6.122118
6.557
other
Y12Al8
20
136
520.86
mp-19094
11.572064
13.624708
-2.6314
other
V2O4
6
136
61.85
mp-644607
6.74922
4.981636
-4.681482
other
C2O4
6
136
83.77
mp-861968
0.686409
1.133975
-3.824042
other
Er2Cl4
6
136
160.87
mp-861891
-0.254861
1.638076
-4.160896
other
Se2Br4
6
136
245.96
mp-1058
8.624514
1.778994
-0.395346
other
Pd2F4
6
136
84.88
mp-864801
7.497321
6.080197
-3.469931
other
Yb2O4
6
136
74.69
mp-672204
-8.289888
-2.721449
4.939857
other
Ga12Ru4
16
136
281.37
mp-863764
-0.897094
0.949304
-3.814655
other
Te2Br4
6
136
292.37
mp-1039508
-6.496747
-6.439409
5.457319
other
Ce4Mg2
6
136
216.5
mp-1188836
-5.43486
0.100535
3.112146
other
V10B6
16
140
165.12
mp-510494
-7.152189
-6.316015
4.784733
other
La10Sn6
16
140
533.2
mp-1397055
8.871655
1.920432
-0.878208
other
Co2F8
10
140
141.74
mp-31219
-6.116202
-0.703257
3.486405
other
Si6W10
16
140
229.14
mp-328
-6.220972
-3.649398
3.977947
other
Zr4Ni2
6
140
109.71