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-1222372
8.062869
13.975035
-1.916349
other
Mn20O43
63
2
726.37
mp-569522
-4.789556
-1.848129
1.104112
other
Mn6P24
30
2
433.09
mp-12205
12.457492
11.806822
1.934166
other
Ti16O28
44
2
465.57
mp-1179985
0.475441
1.771015
-4.047547
other
P2Br2
4
2
159.9
mp-1103512
-6.179143
-2.451939
-0.7062
other
Te10Ir5
15
2
375.88
mp-542334
12.661854
13.243092
-1.38198
other
V10O18
28
2
280.96
mp-30923
-8.302029
-2.837476
4.4232
other
Ga10Rh6
16
2
240.06
mp-1386486
6.497106
3.105312
-2.825575
other
B2C10
12
2
72.33
mp-1074375
-2.939786
-7.417117
7.317902
other
Mg8Si6
14
2
286.87
mp-1075790
-3.180336
-7.733091
7.481286
other
Mg12Si8
20
2
387.89
mp-1096431
-4.233419
-4.967692
-3.398295
other
Ce16Se32
48
2
7,734.67
mp-1073647
-2.86421
-5.276259
6.857423
other
Mg8Si16
24
2
422.5
mp-705541
12.969557
10.82619
0.424404
other
V10O9
19
2
210.06
mp-28400
-5.041912
-1.730562
1.077596
other
P12Ru4
16
2
244.22
mp-30290
-7.35431
-5.998538
4.289107
other
Nd8Sn12
20
2
569.87
mp-1077525
-5.708144
-3.726119
2.949456
other
U4S2
6
2
319.54
mp-1349371
7.597721
5.029832
-1.731688
other
Mn32O48
80
2
841.82
mp-1074667
-3.716291
-8.426586
7.268134
other
Mg8Si4
12
2
246.37
mp-684800
-5.093141
-1.700277
-2.721526
other
Rh36Se80
116
2
2,260.39
mp-1195243
-3.368185
-3.753056
0.434721
other
Ag2P30
32
2
684.41
mp-1079244
-6.307498
-6.966416
4.184485
other
Eu4Ga4
8
2
211.77
mp-1215015
-7.90547
-0.041126
4.754281
other
B4Os4
8
2
89.71
mp-9895
-5.631742
-1.418126
1.872995
other
Tc8P12
20
2
287.28
mp-683947
15.011662
5.858215
0.060499
other
Si8O16
24
2
370.94
mp-1100456
-2.387173
-6.610226
7.654042
other
Mg6Si6
12
2
222.74
mp-1191193
-3.171868
1.468022
2.870275
other
Bi4B20
24
2
1,767.17
mp-648832
-8.748115
-4.952354
3.273252
other
Sm20Pd42
62
2
1,232.07
mp-1100455
-2.302843
-6.718844
7.633181
other
Mg6Si6
12
2
227.95
mp-30275
-3.433043
-3.957092
0.529592
other
Ba2P16
18
2
406.25
mp-1074645
-3.742422
-8.448927
7.223974
other
Mg8Si4
12
2
239.53
mp-1022720
1.029095
2.128714
-4.606307
other
Ni12Cl14
26
2
429.71
mp-685069
-5.656843
-3.777493
-1.463154
other
Sc8Te12
20
2
610.61
mp-1237317
-8.103317
-11.039428
5.751872
other
Mg10Mn6
16
2
301.77
mp-1214506
5.81696
2.419141
-3.142545
other
C60Br28
88
2
1,640.11
mp-796380
7.805982
4.968553
-1.521518
other
V16O24
40
2
438.79
mp-1213798
9.928331
13.707848
-1.445546
other
Cr12O22
34
2
326.29
mp-1073862
-2.271384
-6.804171
7.657543
other
Mg6Si6
12
2
226.74
mp-1900
-4.906568
-4.791655
0.307426
other
Ca2As6
8
2
187.79
mp-1179536
12.995518
11.807944
-0.800337
other
V8O14
22
2
258.58
mp-1100795
1.195944
1.822008
-4.293993
other
Zr2Cl6
8
2
215.59
mp-656884
7.65113
12.48893
-1.068203
other
Ni9O10
19
2
181.79
mp-715333
11.281747
12.353808
-0.256858
other
Fe14O16
30
2
331.92
mp-1194075
4.269302
3.254368
-3.605372
other
Co2N24
26
2
467.53
mp-1273559
12.010639
13.479212
-2.381271
other
V6O12
18
2
213.98
mp-727322
-3.646751
-1.630662
-5.654312
other
Sn2S2
4
2
181.26
mp-558552
-5.390649
-2.092984
3.422202
other
Ta12S2
14
2
245.13
mp-1102447
-5.051864
-1.252297
-1.623134
other
Re4Te8
12
2
332.97
mp-1181732
-6.621668
1.289775
-4.307433
other
Mo6Se8
14
2
319.21
mp-729713
10.106194
12.313038
-4.289394
other
V4O10
14
2
286.86
mp-1073157
-2.103787
-5.82895
7.378143
other
Mg4Si6
10
2
188.31
mp-1101148
-6.11848
-2.334131
-0.9109
other
Te16Rh9
25
2
612.33
mp-1073059
-2.181217
-5.701935
7.362935
other
Mg8Si12
20
2
372.37
mp-1100462
-2.739552
-5.336561
6.887551
other
Mg4Si8
12
2
220.77
mp-27240
1.771368
2.424546
-4.560762
other
U2Cl10
12
2
383.79
mp-541788
-2.462131
-0.338068
-5.237131
other
P8S20
28
2
768.37
mp-1214295
5.578427
2.918762
-3.558513
other
C32Cl32
64
2
1,315.11
mp-684692
5.095979
3.398293
-3.694888
other
I4N12
16
2
252.31
mp-640189
-7.28067
-2.244216
3.277893
other
Ti6Ni6
12
2
163.79
mp-8825
7.166632
8.364977
-0.917834
other
Pr24O44
68
2
1,117.3
mp-1072992
-2.415555
-5.581463
7.227978
other
Mg4Si6
10
2
177.36
mp-662752
0.290602
1.42478
-3.559165
other
Nb2Br10
12
2
440.21
mp-1073852
-2.457797
-6.749657
7.694171
other
Mg6Si6
12
2
216.08
mp-1074759
-3.688907
-8.424719
7.262116
other
Mg8Si4
12
2
241.96
mp-1147691
5.566319
10.254802
-2.72139
other
Fe8O20
28
2
287.29
mp-1075131
-2.395041
-5.685744
7.361326
other
Mg6Si8
14
2
252.47
mp-1075818
-3.127198
-7.737385
7.52861
other
Mg12Si8
20
2
383.64
mp-1402558
10.212454
9.745564
-0.689747
other
Sb4O8
12
2
218.16
mp-27166
-8.281434
-1.930149
3.074463
other
Hf6Ni14
20
2
271.73
mp-1181818
7.463856
10.125607
-3.678659
other
Cr8O21
29
2
443.02
mp-1073688
-2.492255
-6.698558
7.679461
other
Mg6Si6
12
2
217.13
mp-1074480
-2.91431
-7.506001
7.570888
other
Mg8Si6
14
2
260.36
mp-1213668
-2.70811
-8.28782
1.939293
other
Cu7Si6
13
2
8,059.22
mp-1074669
-3.706086
-8.351929
7.284722
other
Mg4Si2
6
2
113.87
mp-1366228
1.083987
1.968347
-5.230145
other
Sr25Cl52
77
2
2,213.55
mp-541112
-1.127422
2.122961
-2.580035
other
Zr4I16
20
2
1,909.66
mp-1204070
13.979962
6.363905
-0.556105
other
Si18O36
54
2
625.8
mp-1182556
-5.6035
-4.606008
3.330045
other
K6Pu6
12
2
512.32
mp-1041679
11.879227
11.075397
-1.932806
other
W3O8
11
2
177.4
mp-661308
-0.708071
1.971379
-2.752589
other
Nb2I10
12
2
540.52
mp-753434
10.363023
0.410527
0.07924
other
Mn6F20
26
2
407.68
mp-21985
-9.3217
-4.631994
3.747094
other
In12Cu28
40
2
576.15
mp-1210365
-0.987607
1.332772
-4.012659
other
Re12Br28
40
2
1,559.08
mp-23273
-5.247824
-2.108632
-2.297457
other
Te8I8
16
2
667.4
mp-1419122
0.702221
1.605998
-3.283253
other
U2Cl10
12
2
447.6
mp-1213091
-8.458123
-1.767812
2.581643
other
In12Ni28
40
2
545.19
mp-1075582
-2.111358
-5.890223
7.465519
other
Mg10Si12
22
2
405.52
mp-1188913
-3.064492
-0.813154
-5.053156
original
Cs4S12
16
2
510.99
mp-1195459
7.941671
2.784913
-2.398732
other
C24F40
64
2
803.8
mp-684674
-5.56425
-0.022998
-5.543889
other
Cr15S24
39
2
689.79
mp-936075
-3.447362
-1.376005
-4.142737
other
Ti4S8
12
2
302.27
mp-1073116
-2.237171
-5.78907
7.29592
other
Mg4Si6
10
2
194.13
mp-1073864
-2.287349
-6.756114
7.645068
other
Mg12Si12
24
2
453.03
mp-1190736
-5.395854
-7.178068
4.021356
other
Ca16Al6
22
2
709.38
mp-556469
15.498452
5.71902
0.346299
other
Si16O32
48
2
900.87
mp-11462
-5.269284
-7.234425
1.655978
other
K4Hg4
8
2
296.53
mp-1074467
-2.887778
-7.45401
7.48942
other
Mg8Si6
14
2
271.51
mp-724714
1.655914
2.514495
-4.66499
other
Sr25Cl52
77
2
2,213.55
mp-27729
1.943343
2.803194
-4.411187
other
I2Cl6
8
2
312.49
mp-640818
10.663025
10.638097
-3.696889
other
Mo36O104
140
2
1,939.17
mp-1213936
-7.17801
-5.6784
3.900078
other
Ce8Sn12
20
2
561.55