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-1194179
-7.802313
-4.313021
3.092833
other
Pr4Sn16Rh8
28
62
604.79
mp-558170
12.607089
5.962335
-5.048373
other
Rb12P4O16
32
62
607.98
mp-1209648
-9.604747
-4.688573
3.881481
other
Pr4Cu20Sn4
28
62
453.51
mp-642655
8.289234
1.008635
1.757395
other
K8Gd4F20
32
62
518.73
mp-778512
10.076817
0.732311
0.253338
other
Li8Fe8F32
48
62
635.66
mp-1246756
1.730767
2.304222
0.493009
other
Cs4Cu4N4
12
62
274.61
mp-772833
10.361362
9.284905
3.455289
other
Y8Hf4O20
32
62
468.33
mp-1213952
-3.025075
-2.44223
-4.32184
other
Ca4U8S20
32
62
673.33
mp-505333
-5.584415
-2.863024
2.921045
other
Hf20Co4As12
36
62
658.26
mp-1213816
-6.474409
-1.777871
1.980194
other
Cr4As4Ru4
12
62
176.79
mp-1196148
-2.744097
-2.629439
-5.503677
other
Sm8Zr4S20
32
62
674.91
mp-1212639
1.346311
2.548024
-5.862267
other
K8Cu4Cl16
28
62
802.44
mp-766942
10.46272
0.128383
0.357642
other
Li8Mn4F20
32
62
408.7
mp-1102195
-5.824956
-3.87829
4.684112
other
Ti4Si4Pt4
12
62
177.29
mp-1094015
10.235755
9.819807
1.901084
other
Zr4In8O20
32
62
434.37
mp-28765
0.831644
1.683924
-4.105403
other
C4Br12F4
20
62
641.98
mp-1095614
-3.295344
-3.820474
-4.346842
other
Er4As4S4
12
62
246.63
mp-1209418
1.523671
2.653425
-5.374331
other
Rb4Yb8Cl28
40
62
1,131.86
mp-1181428
-3.119672
0.531047
2.67387
other
Dy4W4C8
16
62
207.84
mp-754225
9.331789
10.237246
1.528372
other
Yb4Ti4O12
20
62
223.03
mp-29058
10.718288
10.405284
-1.808322
other
V12Bi24O64
100
62
1,486.04
mp-557685
11.838338
11.114413
2.443431
other
Nb4I4O8
16
62
322.94
mp-1211879
-4.171067
-0.786079
-5.103238
other
K8W4S16
28
62
804.99
mp-1238794
-5.392711
-0.082651
-5.909093
other
Cr8Hg4S16
28
62
520.56
mp-630328
-3.392998
-1.817423
-5.286184
other
Ba12Fe4S20
36
62
990.84
mp-1102138
-6.008957
-0.7906
2.050041
other
Ti4Co4P4
12
62
144.1
mp-1212088
-8.3678
-4.015334
5.183321
other
Ho4Al4Rh4
12
62
224.49
mp-27595
8.718346
1.63737
0.431616
other
K8Re4F32
44
62
622.53
mp-1210091
-7.048651
-4.752234
5.74523
other
Nd12Co4Ge8
24
62
590.69
mp-758283
9.44993
0.661486
-0.342479
other
Li8Cu8F32
48
62
551.73
mp-510749
8.336561
8.241186
-4.286341
other
Ni4As4O16
24
62
293.75
mp-17371
8.389532
1.101517
1.873363
other
K8Er4F20
32
62
498.74
mp-1209288
-5.751946
-3.874241
-1.137978
other
Pr4Te4As4
12
62
335.89
mp-20428
-6.694322
-5.002958
4.930283
other
Li4Ce4Ge8
16
62
334.28
mp-727908
10.189376
7.40863
-6.332794
other
Ta4P8O32
44
62
680.16
mp-867713
9.333329
7.948689
-1.842315
other
Eu8Si4O20
32
62
438.25
mp-22668
6.573693
11.585709
0.841883
other
Y4Co4O12
20
62
205.83
mp-17960
9.538299
8.358152
3.076417
other
Ba4Sm8O16
28
62
466.9
mp-560647
11.757955
7.338396
-0.023325
other
Ca8Ge4O16
28
62
406.9
mp-30780
-5.909836
-6.880332
2.96023
other
Sr4Mg4Sn4
12
62
355.7
mp-766447
-4.778351
-1.550487
-5.860756
other
Li8Cu16S12
36
62
579.37
mp-1101803
-8.661603
-5.435578
3.961689
other
Nd4Ga4Pd4
12
62
251.06
mp-21689
-8.089177
-4.560392
2.749813
other
Ce4Ge12Pd20
36
62
616.07
mp-1246244
0.607103
2.706817
1.908303
other
Mg4Fe4N4
12
62
150.92
mp-1209279
-0.200535
0.874905
-3.845822
other
Rb4Dy4Br12
20
62
714
mp-4438
9.758605
9.570576
1.003912
other
Ca4Sn4O12
20
62
248.81
mp-12704
-8.697391
-5.23834
3.900806
other
Tb4Ga4Pd4
12
62
235.2
mp-1102032
-5.760959
-1.276983
1.597838
other
Hf4Ni4P4
12
62
163.67
mp-1245885
1.759078
2.248483
0.8739
other
Rb4Zn4N4
12
62
269.53
mp-1232046
-3.279731
-1.983577
-5.371417
other
Eu8Mg4S16
28
62
755.43
mp-1095544
-8.402683
-4.889275
3.742771
other
Sc4Ga4Pd4
12
62
208.9
mp-1203752
-6.182415
-0.423914
1.914012
other
Tb4Fe20P12
36
62
446.69
mp-1213746
1.389709
2.601793
-5.902305
other
Cs8Yb4Cl20
32
62
1,128.28
mp-1102840
-8.994819
-6.081532
3.470711
other
Y4Al4Au4
12
62
248.48
mp-21623
-6.025689
-0.496972
1.999042
other
Th4Fe20P12
36
62
462.31
mp-30133
-5.970508
-3.311302
-2.130079
other
Ba4Cu8Te8
20
62
523.9
mp-556974
13.819806
4.184304
-2.333416
other
Ba4B16O28
48
62
426.54
mp-21453
-7.947005
-4.441301
3.076297
other
Pr4Sn4Pt4
12
62
282.83
mp-1102052
-3.126581
-3.674611
-4.545624
original
Dy4As4S4
12
62
251.5
mp-1199980
-4.075896
-5.393411
5.48012
other
Eu12Mg20Si20
52
62
1,155.34
mp-20147
-5.612123
-1.018625
2.125108
other
Zr4Mn4P4
12
62
177.68
mp-28091
10.385005
9.372127
-1.872175
other
In8Te12O36
56
62
816.23
mp-1198946
-5.953697
-0.476631
1.389336
other
Gd4Co20P12
36
62
441.67
mp-1246834
0.713309
2.432312
1.7977
other
Li4Co4N4
12
62
115.89
mp-1191026
-2.661194
-2.856662
-4.489891
other
Y8P8S8
24
62
480
mp-21217
-3.167699
-2.247596
-4.185695
other
U4Rh4S12
20
62
365.34
mp-22695
-8.264056
-5.363044
3.039719
other
Nd4Sn4Pd4
12
62
282.47
mp-1105822
10.277009
10.961861
1.876846
other
Pr4Cr4O12
20
62
234.03
mp-1029702
1.38454
1.947996
2.302844
other
Mg4Ti4N8
16
62
186.79
mp-9167
4.737615
1.934894
-2.424322
other
Sr4C4N8
16
62
267.77
mp-21556
-7.857528
-4.842598
5.061507
other
Ce12In8Ru8
28
62
666.97
mp-752414
10.331421
9.664963
3.243901
other
Tb8Ti4O20
32
62
433.67
mp-1043964
10.033623
9.63031
-0.355209
other
Ca4Sb12O28
44
62
680.07
mp-1209512
1.165905
2.142901
-5.71394
other
Rb8Ho4Cl20
32
62
1,012.57
mp-1194307
-2.527321
-2.792055
-5.606721
other
Sr4Tm8S16
28
62
665.89
mp-7781
-3.581205
-1.417339
-5.286451
other
Ca4Zr4S12
20
62
450.8
mp-1102966
-5.234895
-3.770288
-0.191374
other
U4Te4Se4
12
62
319.89
mp-559213
10.069335
8.861005
0.240943
other
Cs4In12O20
36
62
566.75
mp-866805
-5.596471
-5.823609
0.655773
other
Sr4Sn12Sb16
32
62
1,053.34
mp-1208554
-5.917773
-2.836519
4.034965
other
Ta4Si4Pt4
12
62
181.2
mp-29034
-5.963648
-3.56245
-2.236098
other
Tl16Ge8Te24
48
62
1,652.39
mp-1190886
1.359742
2.79456
-6.009631
other
Cs8Ag4Cl12
24
62
843.38
mp-1209705
3.972905
3.91404
-4.054693
other
Sm4Cl12O12
28
62
690.24
mp-1209433
1.232265
2.283791
-5.804004
other
Rb8Y4Cl20
32
62
1,019.97
mp-756942
8.057899
8.441936
0.481717
other
Ba12Br8O8
28
62
988.45
mp-555129
-2.386538
-2.981699
-5.080804
other
La12S12N4
28
62
676.8
mp-768605
10.288209
9.549845
3.237049
other
Ho8Ti4O20
32
62
422.16
mp-10328
-3.562705
-1.902471
-5.651299
other
La4Cr4S12
20
62
397.49
mp-645068
-8.016319
-4.926353
4.737737
other
Ce8In12Ru8
28
62
628.28
mp-19115
5.428808
11.009799
-1.181719
other
Ca4Fe4O12
20
62
210.96
mp-1103123
-7.368924
-4.056281
3.809066
other
Zr4Cu4Ge4
12
62
193.19
mp-1102992
-9.064454
-6.048304
3.46771
other
Ho4Al4Au4
12
62
244.52
mp-12454
-3.39692
-2.339119
-5.829116
other
Er4Cu4S8
16
62
321.67
mp-1209372
1.098571
1.832637
-5.239845
other
Rb4Er8Cl28
40
62
1,124.64
mp-1101371
10.017253
8.371319
3.236267
other
Sm4Lu4O12
20
62
281.83
mp-755752
11.945485
6.126423
-1.581685
other
Rb8Be8O12
28
62
440.41
mp-1103280
-8.192712
-4.013572
4.968761
other
Y4Ga4Ir4
12
62
227.55
mp-22434
-6.021426
-0.60558
2.363482
other
Hf4Fe4P4
12
62
160.04
mp-1191874
-3.439124
-1.741264
-5.163251
other
Ba8Fe4S12
24
62
614.97
mp-1247100
1.706573
1.754187
1.248209
other
Ba4Li4N4
12
62
232.44