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-1080307
-4.249077
-4.47652
-3.419777
other
Ce4Se8
12
62
415.99
mp-1224
8.988595
8.888055
-1.480081
other
Hg4O4
8
62
133.57
mp-542829
-5.110509
-4.424954
6.174016
other
Ho20Si16
36
62
815.65
mp-20517
-8.447683
-4.458438
2.142036
other
B4Pd12
16
62
204.08
mp-623751
-7.681176
-6.465674
6.633303
other
Tb12Ni4
16
62
418.94
mp-7951
-4.053821
-3.991888
-3.243543
other
Th4Se8
12
62
309.64
mp-1105633
-7.602632
-6.420436
6.620622
other
Y12Ni4
16
62
426.78
mp-1201196
-6.841986
-6.478131
3.324253
other
Yb20Sn16
36
62
1,103.01
mp-540572
3.375065
3.053859
-3.790116
other
N12Cl36
48
62
1,188.41
mp-759097
10.317594
2.762393
1.57877
other
V4F12
16
62
203.48
mp-21833
-5.65486
-0.891212
2.300248
other
Mo32P24
56
62
814.08
mp-754769
10.633863
12.477113
1.928868
other
Ti8O16
24
62
260.42
mp-680254
1.364006
2.34228
-5.342446
other
Yb28Cl60
88
62
2,150.82
mp-29109
-1.005475
2.088926
-2.796696
other
Si8I24
32
62
1,459.14
mp-1196008
-6.960845
-4.507989
5.590896
other
Ho20Ge16
36
62
827.8
mp-1102116
-5.15583
-3.604736
0.576903
other
U4As8
12
62
259.93
mp-1025399
-8.787279
-6.339239
3.721983
other
La4Au4
8
62
220.31
mp-1103028
-5.043297
-6.881476
3.339336
other
Ba8Pd4
12
62
462.46
mp-1189274
-8.588329
-6.335083
6.690995
other
Er12Ru4
16
62
412.79
mp-640095
-7.364003
-6.288812
6.441544
other
La12Co4
16
62
478.74
mp-600428
-7.468919
-2.202662
2.728254
other
Mn12Sn8
20
62
342.02
mp-16526
-7.980387
-3.179128
2.916704
other
Al4Pt8
12
62
175.28
mp-1128
-6.660463
-2.445574
4.921312
other
Si4Ir4
8
62
113.34
mp-556978
-3.732997
-1.966048
-5.272855
other
Na8S4
12
62
252.02
mp-31463
-7.094203
-5.994101
4.540212
other
Tb20Bi12
32
62
952.31
mp-1189035
2.059255
1.918918
0.819243
other
Na12N4
16
62
280.57
mp-22646
-8.214225
-4.387281
2.04611
other
In4Pd8
12
62
199.35
mp-1210109
-0.243669
0.606982
-2.985063
other
Nd4Br8
12
62
401.27
mp-31086
-3.463246
-3.942103
0.55665
other
Na4P20
24
62
502.92
mp-1102087
10.412633
9.277438
-2.052789
other
Te4O8
12
62
168.1
mp-1195885
-8.598594
-5.160965
5.1155
other
Er20Pt16
36
62
797.37
mp-726322
1.554701
2.568727
-3.216667
other
I12N4
16
62
693.91
mp-1197748
-5.443555
-2.90955
2.935614
other
Hf40As24
64
62
1,243.15
mp-571123
-6.386649
-1.117982
3.998339
other
Cr44Ge32
76
62
1,021.27
mp-1042
-5.125156
-3.347228
4.561497
other
Hf4Si4
8
62
135.07
mp-1198681
-7.249633
-6.76658
5.613612
other
Pr20Pb16
36
62
1,192.6
mp-1199253
-6.129173
-1.227159
3.750857
other
V44Ge32
76
62
1,075.88
mp-636334
-8.09048
-2.432828
3.286349
other
Sn4Rh8
12
62
189.6
mp-568629
-7.825175
-6.579078
3.452283
other
Yb4Ag4
8
62
209.01
mp-1194708
-9.653206
-4.722241
4.063786
other
Gd4Cu24
28
62
405.27
mp-2517
-4.0392
-5.584848
5.359304
other
Ca8Si4
12
62
331.56
mp-505002
-5.367013
-4.211415
0.754797
other
Sc20As12
32
62
636.7
mp-683941
-5.177195
-2.154848
2.576846
other
Nb56S20
76
62
1,261.39
mp-438
-2.755863
-2.816086
-5.446773
other
Nd8S12
20
62
477.15
mp-1102362
-7.659759
-5.852942
4.812038
other
Ce8Au4
12
62
336.42
mp-569605
-6.337543
-7.138525
3.947281
other
Yb8Tl4
12
62
379.33
mp-9905
-3.715106
-5.917374
4.954614
other
Ba8Si4
12
62
470.3
mp-1189509
-6.2267
-6.89704
4.131514
other
Yb12Ni4
16
62
442.12
mp-1192935
-9.525325
-4.456646
3.931552
other
Pu4Cu24
28
62
406.06
mp-1199503
-7.886194
-6.371018
5.265154
other
Y12In20
32
62
949.26
mp-1102098
-7.975273
-6.506103
6.631013
other
Nd8Au4
12
62
345.62
mp-1188974
-6.852458
-5.618616
5.533113
other
Ce12Os4
16
62
423.14
mp-13688
-6.069794
-1.226488
3.636008
other
Ge8Mo4
12
62
188.65
mp-540678
-3.131294
-2.328194
-5.094931
other
Yb12S16
28
62
669.43
mp-28313
0.712231
1.087221
-3.696486
other
Nd4Cl8
12
62
318.41
mp-1188098
-8.900702
-5.991236
4.800273
other
Ce4Zn12
16
62
296.88
mp-1196455
-7.032612
-4.698372
5.763476
other
Tm20Ge16
36
62
799.45
mp-30843
-5.519463
-6.873947
3.30672
other
Sr28Pt12
40
62
1,398.55
mp-1215005
-2.21866
-0.103371
-4.802726
other
C8S40
48
62
4,817.19
mp-30379
-8.515485
-5.904891
2.525837
other
Ga4Au4
8
62
142.63
mp-1106300
-8.1641
-6.712381
7.079463
other
Nd12Ru4
16
62
470.09
mp-21674
-6.347974
-4.023
3.177764
other
Pu20Ir16
36
62
727.2
mp-607138
-6.194105
-5.405423
2.30173
other
Sc20Bi12
32
62
795.05
mp-1095432
2.914579
-0.11231
-1.73886
other
H8W4
12
62
84.49
mp-1397
-5.784637
-3.802197
-2.039367
other
Rb8Te4
12
62
559.96
mp-622209
-7.312777
-3.065593
5.589314
other
Al12Ni4
16
62
228.55
mp-1188476
-8.500896
-6.260088
6.3895
other
Ho12Pt4
16
62
430.29
mp-581990
-6.7801
-4.777621
0.301527
other
Bi12Rh4
16
62
444.38
mp-561877
8.635227
1.178381
1.986283
other
Ho4F12
16
62
186.77
mp-2511
8.435194
1.531164
0.922679
other
Pb4F8
12
62
190.53
mp-1924
-5.025917
-4.335044
6.106988
other
Tb4Si4
8
62
174.55
mp-19326
8.157314
14.314023
-1.688856
other
Mn4O8
12
62
119.7
mp-600014
15.595229
5.681379
0.379159
other
Si24O48
72
62
1,321.99
mp-30736
-9.194179
-6.350723
4.901538
other
Ho4Zn12
16
62
283.85
mp-755089
10.86147
9.949435
3.94263
other
Zr4O8
12
62
143.41
mp-21717
-6.97786
0.637822
3.409878
other
Fe28C12
40
62
364.34
mp-12834
-9.734168
-4.732152
4.040096
other
Th4Cu24
28
62
407.45
mp-1106376
-5.856167
-3.852318
-1.292603
other
Sm8Te12
20
62
641.56
mp-680602
-7.846447
-4.62628
4.961566
other
Ce20Rh16
36
62
833.52
mp-30719
-7.415974
-8.973704
3.614705
other
Mg8Hg4
12
62
250.21
mp-20373
-7.711993
0.453807
3.586554
other
Co12B4
16
62
150.28
mp-1047121
9.294791
13.511163
-2.026967
other
Cr8O16
24
62
270.81
mp-1101210
9.696723
2.304759
-0.194329
other
V4F20
24
62
368.31
mp-624187
-7.009958
-6.116769
4.6198
other
Y20Bi12
32
62
950.73
mp-2160
-4.327491
-2.818325
-3.650792
other
Sb8Se12
20
62
579.44
mp-963
10.983466
9.757401
3.673252
other
Zr4O8
12
62
125.75
mp-1868
-4.643566
-0.086969
-3.918373
other
V4S4
8
62
108.71
mp-23712
3.506269
-0.655807
-2.388861
other
Mg4H8
12
62
98.97
mp-570775
-5.227009
-6.574553
2.174649
other
Ba4Au4
8
62
271.8
mp-7857
-4.678761
0.422995
3.097392
other
Ti4B4
8
62
84.91
mp-10025
-7.227013
-1.593804
4.443055
other
Si4Ru8
12
62
156.45
mp-9998
-5.926338
-1.483575
2.262324
other
Mo4As4
8
62
130.17
mp-1182716
7.550817
8.987613
0.537879
other
Eu12O16
28
62
434.61
mp-2058
-8.454345
-0.244419
2.317981
other
Ni12B4
16
62
146.31
mp-1094337
-4.320649
-3.746691
4.579266
other
Mg4Ti4
8
62
155.84
mp-12636
-5.753658
-1.595288
1.561264
other
P4Ru4
8
62
108.05
mp-1179486
-5.050835
-2.210167
2.6593
other
Ti20P12
32
62
496.1
mp-1190353
-5.287391
-7.154723
2.919245
other
Na12Rh4
16
62
402.53
mp-20669
-5.741029
-7.090367
3.834664
other
Ca8In4
12
62
386.97
mp-1078500
-3.195602
-2.179929
-5.579084
other
Pb4S4
8
62
217.24