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-568098
-3.839551
-4.233953
-3.552649
other
Nd6Se8
14
220
357.2
mp-787
-4.617461
-3.746211
0.866366
other
U6P8
14
220
284.89
mp-568285
-4.924394
-3.858421
0.320984
other
Np6As8
14
220
316.68
mp-567082
-5.321249
-2.432098
2.201941
other
Ti8As6
14
220
225.51
mp-392
-5.637177
-3.962732
1.165709
original
U6Sb8
14
220
394.15
mp-1103738
-3.314595
-2.177951
-5.334197
other
Eu6S8
14
220
318.04
mp-567370
-3.749253
-4.072556
-3.084452
other
Ce6Se8
14
220
369.32
mp-15319
-2.196295
0.38567
2.516266
other
Lu8C12
20
220
257.1
mp-1208911
-5.545101
-4.124779
0.716905
other
Sm8As6
14
220
351.33
mp-2127
-5.712252
-3.927184
-1.356106
other
Pr6Te8
14
220
444.81
mp-2124
-6.802036
-5.537896
3.953076
other
Ho8Sb6
14
220
379.61
mp-569849
-4.378843
-5.478016
5.082551
other
Li30Si8
38
220
588.13
mp-7024
-2.22279
0.447653
2.453033
other
Tb8C12
20
220
282.05
mp-569335
-2.242714
0.519455
2.5175
other
Sm8C12
20
220
303.05
mp-530
-6.272024
-5.193269
2.178933
other
Nd8Sb6
14
220
430.83
mp-2332
-2.136875
0.404557
2.442521
other
Ho8C12
20
220
271.67
mp-1209614
-5.930481
-4.445478
1.956625
other
Pu8Sb6
14
220
406.09
mp-367
-6.370885
-5.268222
2.376193
other
Sm8Sb6
14
220
412.66
mp-1213824
-6.917842
-4.830924
4.933976
other
Ce8Ge6
14
220
390.12
mp-1484
-6.344565
-5.18315
2.252482
other
Pr8Sb6
14
220
441
mp-1104641
-5.90446
-6.187651
1.210167
other
Eu8Bi6
14
220
487.86
mp-1098
-5.284235
-4.856489
0.822961
original
Yb8As6
14
220
350.32
mp-568808
-3.864257
-4.213241
-3.480248
other
Tb6Se8
14
220
328.16
mp-552
-5.788168
-4.450828
1.035886
other
Th6Sb8
14
220
423.74
mp-30893
-5.389711
-6.418505
1.028571
other
Sr8Bi6
14
220
528.52
mp-1449
-2.587599
-2.990088
-5.154916
other
Pr6S8
14
220
323.92
mp-571400
-3.911031
-4.177734
-3.517959
other
Dy6Se8
14
220
327.65
mp-23314
-6.770744
-5.678771
3.407535
other
Pr8Bi6
14
220
464.17
mp-30794
-5.597497
-7.12253
2.836681
other
Na30Sn8
38
220
1,104.99
mp-1800
-2.237921
0.506887
2.441403
other
Nd8C12
20
220
318.95
mp-2852
6.369435
2.659992
-3.135819
other
C6N8
14
220
80.95
mp-11660
1.451902
1.655178
2.673351
other
Hf6N8
14
220
151.4
mp-22422
-5.426897
-3.795663
-1.051681
other
Ce6Te8
14
220
453.72
mp-16296
-2.324385
0.479062
2.502228
other
Sc8C12
20
220
228.54
mp-1014347
0.702629
2.531789
1.891159
other
Cr6N8
14
220
157.41
mp-1966
-5.795108
-4.208731
0.531385
other
Cu24As8
32
220
438.66
mp-382
-5.229941
-4.078421
0.534671
other
Th6As8
14
220
352.89
mp-1189998
-2.08457
0.442876
2.3234
other
Gd8C12
20
220
289.81
mp-20520
-5.383402
-3.649968
0.605995
other
U6Te8
14
220
426.68
mp-570181
-3.664529
-3.394142
-2.628559
other
Np6Se8
14
220
296.5
mp-23270
-6.183627
-4.96878
1.541263
other
Th6Bi8
14
220
452.26
mp-947
-4.255292
-1.657253
-5.2428
other
Au4S2
6
224
146.7
mp-8085
-3.208559
-4.277146
0.692519
other
Mg6P4
10
224
218.65
mp-1105018
12.650189
8.639486
0.57203
other
Al4O6
10
224
98.21
mp-353
8.707895
9.031738
-1.116343
other
Ag4O2
6
224
107.44
mp-684768
9.730657
8.45596
2.959813
other
Sm4O6
10
224
162.5
mp-21185
-3.713751
-4.451847
0.855524
other
Cd6P4
10
224
246.04
mp-673247
9.937387
8.583311
3.021859
other
Y4O6
10
224
148.26
mp-1206845
7.870315
11.083558
-0.860197
other
Pt4O2
6
224
93.95
mp-1214896
7.079402
8.677897
-2.050304
other
Ag2O4
6
224
98.07
mp-7844
-4.97451
-5.086372
0.375701
other
Mg6As4
10
224
240.59
mp-22891
9.369566
8.740593
-0.451661
other
Bi4O6
10
224
174.58
mp-673165
4.090792
1.878261
-1.352329
other
Dy4O6
10
224
90.97
mp-7845
-4.917271
-4.752813
0.126572
other
Zn6As4
10
224
211.28
mp-1084771
-3.872267
-3.934678
1.11757
other
Be6P4
10
224
130.97
mp-1072852
-4.668096
-6.611864
3.440541
other
Cd2B4
6
224
127.53
mp-1011697
-4.227338
-2.898836
-4.219111
other
Cs4Se2
6
224
489.76
mp-1021503
13.462797
7.533741
-0.805907
other
Si2O4
6
224
55.18
mp-361
8.119494
10.814799
-0.39405
original
Cu4O2
6
224
76.59
mp-561301
14.255856
6.141835
-0.543334
other
Si48O96
144
224
2,022.6
mp-10729
8.329241
10.842116
-1.026823
other
Pd4O2
6
224
93.72
mp-570697
5.831684
3.229642
-3.146559
other
Ca4C8
12
224
224.84
mp-20119
8.279728
9.783304
-1.799927
other
Pt2O4
6
224
90.14
mp-1207473
5.964396
3.029024
-3.202945
other
Zn4C8
12
224
269.15
mp-1214031
-4.086993
-7.255769
2.197595
other
Ca2C8
10
224
825.35
mp-1214195
5.833927
3.146419
-3.290796
other
Be4C8
12
224
204.71
mp-684585
9.674613
8.41951
2.989279
other
Gd4O6
10
224
153.79
mp-1207457
-3.49337
-4.208074
0.467757
other
Zn4P2
6
224
148.49
mp-7846
-3.263398
-3.894875
0.488674
other
Zn6P4
10
224
186.79
mp-1077045
2.592352
-0.262804
-1.445902
other
Ti4H2
6
224
75.64
mp-11872
7.115456
9.57901
-1.904059
other
Ag4O6
10
224
133.17
mp-1214753
-3.144611
-1.166556
-4.411308
other
Au2S4
6
224
157.13
mp-1213851
-3.886384
-4.671213
0.757616
other
Cd4P2
6
224
198.29
mp-685148
10.286648
8.917972
3.102114
other
Ho4O6
10
224
110.31
mp-1207458
-5.029611
-4.84052
0.222442
other
Zn4As2
6
224
175.26
mp-10735
12.354368
9.13685
2.308209
other
Zr4O2
6
224
115.95
mp-1210592
-3.190664
-4.393273
0.703381
other
Mg4P2
6
224
181.97
mp-32927
8.742553
8.268915
1.634858
other
Tb4O6
10
224
156.03
mp-551685
-5.974109
-6.46058
2.249063
other
Pb4O2
6
224
163.88
mp-33216
11.457613
8.872457
2.740885
other
Pu4O6
10
224
156.57
mp-10762
-5.263568
-5.302672
0.323938
other
Cd6As4
10
224
272.08
mp-1193170
-9.440582
-5.796016
4.021825
other
La2Zn26
28
226
438.5
mp-784
-9.391868
-5.737183
3.52979
other
K2Zn26
28
226
450.28
mp-397
-7.502791
-6.910375
2.403792
other
K2Cd26
28
226
666.44
mp-1194288
-5.084558
-1.203416
4.590994
other
Pa2Be26
28
226
266.58
mp-1194443
-9.638799
-4.636215
3.862475
other
La2Cu26
28
226
377.15
mp-31189
-5.058941
-1.282156
4.649299
other
Dy2Be26
28
226
265.3
mp-2080
-5.038797
-1.497958
4.676234
other
Sr2Be26
28
226
282.72
mp-1878
-5.115628
-1.242783
4.660284
other
Hf2Be26
28
226
247.09
mp-950
-9.417672
-5.676384
3.50815
other
Na2Zn26
28
226
439.79
mp-457
-5.09971
-1.293063
4.650991
other
Ce2Be26
28
226
273.98
mp-672227
-9.433229
-5.810696
3.704066
other
Ca2Zn26
28
226
436.58
mp-30442
-5.130683
-1.369877
4.683813
other
Np2Be26
28
226
269.34
mp-672225
-9.328467
-5.775223
3.684951
other
Ba2Zn26
28
226
455.19
mp-13608
-5.135001
-1.589358
4.648004
other
Be26Sb2
28
226
271.28
mp-672707
-9.42596
-5.779422
3.711707
other
Sr2Zn26
28
226
443.91
mp-1193737
-9.411947
-5.707965
3.492388
other
Li2Zn26
28
226
435.5
mp-976039
-5.0764
-1.277716
4.670427
other
Lu2Be26
28
226
258.99
mp-1208596
-5.054101
-1.271838
4.659324
other
Sm2Be26
28
226
271.46
mp-1194109
-5.127038
-1.37236
4.66594
other
Eu2Be26
28
226
274.24