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-607409
-5.630558
-3.898957
3.84308
other
Hf10Cu2Pb6
18
193
378.5
mp-1207719
-6.407943
-3.709544
6.221231
other
Yb12Ta8Al86
106
193
1,941.52
mp-30212
-6.512992
-5.345025
3.01221
other
La10Bi6Br2
18
193
574.23
mp-1211404
-6.986392
-6.306206
5.404378
other
La10Pb6Cl2
18
193
574.6
mp-1199732
-6.523729
-3.776434
6.202544
other
Yb12Ti8Al86
106
193
1,932.16
mp-1207833
-6.487934
-3.177721
6.324286
other
Yb12Al86Cr8
106
193
1,831.91
mp-555277
8.475826
11.542272
-0.693895
other
Rh28Pb12O60
100
193
1,303.23
mp-1188470
-6.846683
-5.05853
5.938255
other
Nd10Ge6C2
18
193
458.49
mp-1188606
-7.002961
-6.20627
5.239005
other
La10Pb6S2
18
193
578.19
mp-754699
12.779223
10.094222
1.947191
other
Na4Ti8O12
24
193
241.26
mp-1190262
-5.536773
-3.485588
2.385005
other
Zr10Sb6Ru2
18
193
389.56
mp-1209941
-5.533583
-2.28392
3.818616
other
Nb10Si6N2
18
193
264.91
mp-1189555
-5.950043
-5.000196
1.947236
other
Ce10Cu2Bi6
18
193
520.11
mp-1207704
-6.688088
-5.83194
3.890388
other
Y10Sb6F2
18
193
442.89
mp-18635
1.689472
1.703736
1.464253
other
Sr12Ga2N10
24
193
512.1
mp-1209864
-6.212898
-4.831579
1.778774
other
Nd6Zr2Sb10
18
193
500.08
mp-510321
-5.945089
-3.722069
3.551202
other
Zr10Al2Sn6
18
193
387.79
mp-1198914
-6.579075
-3.038797
6.413805
other
Dy12Al86Cr8
106
193
1,789.76
mp-13234
-5.154823
-4.495046
6.129568
other
Lu10Si6B2
18
193
370.76
mp-1188445
-5.385352
-3.537792
3.699157
other
Zr10Si2Pb6
18
193
396.8
mp-1188984
-4.488791
-5.728388
4.819532
other
Yb10Si6C2
18
193
409.58
mp-758484
5.577298
11.154387
-1.731623
other
Na8Fe4O12
24
193
242.43
mp-1188172
-5.212563
-2.790388
2.581641
other
Ti10Cu2Sb6
18
193
315.38
mp-30210
-7.190856
-6.204772
4.815208
other
La10Sn6Cl2
18
193
562.57
mp-1202016
-6.675519
-2.636612
6.443745
other
Tm12Al86W8
106
193
1,848.65
mp-757546
11.213177
11.571839
3.046213
other
K6Ta16O42
64
193
882.08
mp-1208408
-6.792456
-2.273802
6.049731
other
U12Al78Mo16
106
193
1,833.81
mp-9436
-6.098275
-4.789152
1.621681
other
La6Hf2Sb10
18
193
517.95
mp-1190063
-6.89851
-4.874201
5.847111
other
Tb10Ge6B2
18
193
414.03
mp-9275
10.881056
11.463412
3.067721
other
Th4Ta12O38
54
193
725.16
mp-1210363
-6.605103
-3.142974
6.402323
other
Nd12Al86V8
106
193
1,892.09
mp-9132
-4.006271
-0.101819
-3.708674
other
Ta6Sn2S12
20
193
423.6
mp-567915
-6.491447
-5.431866
1.754778
other
La6Mn2Bi10
18
193
544.53
mp-561277
6.130136
8.675792
-0.919125
other
K8Pb4O12
24
193
390.09
mp-1189323
-5.233844
-3.345401
2.202378
other
Zr10Sb6S2
18
193
377.79
mp-1213285
-7.677176
-6.452843
5.67121
other
Er10Cu2Pb6
18
193
467.1
mp-1208390
10.525778
11.405775
2.539568
other
Ta12Bi4O38
54
193
716.79
mp-1203150
-6.783441
-2.724542
6.491212
other
Tm12Al86Mo8
106
193
1,846.79
mp-1188536
-6.977968
-5.077959
6.080659
other
Sm10Ge6C2
18
193
439.43
mp-1203616
-6.569481
-3.056058
6.452219
other
Y12Al86Cr8
106
193
1,805.85
mp-1208160
-6.630774
-2.966635
6.461348
other
Tm12Al86V8
106
193
1,822.29
mp-1201197
-6.748894
-2.808206
6.445845
other
Tb12Al86Mo8
106
193
1,872.13
mp-1208936
-6.743278
-2.584216
6.249527
other
Sm12Al78V16
106
193
1,864.8
mp-1188357
-7.02382
-6.404161
5.116974
other
La10P2Pb6
18
193
591.76
mp-1204202
-6.668624
-2.64821
6.427591
other
Ho12Al86W8
106
193
1,863.36
mp-1211797
-7.05278
-5.480066
5.643772
other
La10Co2Ge6
18
193
508.54
mp-1106179
-5.052077
-4.637696
6.232025
other
Ho10Si6C2
18
193
390.39
mp-1105712
-7.145897
-4.780026
5.873501
other
Er10Ge6C2
18
193
387.29
mp-1212412
-6.619475
-2.920116
6.461725
other
Ho12Al86V8
106
193
1,840.26
mp-1209870
-6.327929
-4.899369
1.897912
other
Nd6Ti2Sb10
18
193
486.16
mp-779662
-4.674895
-2.569378
3.115425
other
Zr10Sn6O2
18
193
355.98
mp-1198347
-6.557005
-3.084784
6.400659
other
Tb12Al86Cr8
106
193
1,826.66
mp-1188159
-5.52183
-3.892626
2.676208
other
Zr10Cu2Bi6
18
193
395.34
mp-1209661
-6.186624
-4.746653
1.736151
other
Pr6Zr2Sb10
18
193
508.1
mp-1208500
-6.455686
-3.538891
6.259813
other
Tb12Ta8Al86
106
193
1,874.51
mp-9952
-5.399922
-3.437757
2.474159
other
Hf10Zn2Sb6
18
193
363.5
mp-972176
-5.759266
-3.363366
4.057848
other
Zr10Al6C2
18
193
338.68
mp-1189978
-6.059854
-3.696409
3.715091
other
Hf10Ga2Sn6
18
193
370.27
mp-1212405
-6.610786
-3.465217
6.417378
other
Ho12Nb8Al86
106
193
1,864.79
mp-568340
-7.63314
-6.4761
5.869769
other
Ho10Ni2Pb6
18
193
474.07
mp-1106020
-5.854916
-3.696573
3.497666
other
Zr10Si2Sn6
18
193
383.37
mp-756195
-4.781326
0.395034
-4.630595
other
Li4V6S12
22
193
403.98
mp-1188901
-6.984656
-6.448998
5.044275
other
La10Zn2Pb6
18
193
580.44
mp-1198488
-6.790453
-2.720871
6.460562
other
Er12Al86Mo8
106
193
1,860.25
mp-567159
-6.6395
-3.674591
6.37095
other
Dy12Ti8Al86
106
193
1,895.57
mp-1214169
-5.872453
-7.150492
3.329254
other
Ca10Co2Pb6
18
193
529.77
mp-1188583
-6.971337
-6.402603
5.312593
other
La10Fe2Pb6
18
193
581.87
mp-1208864
-6.301006
-4.862139
1.950004
original
Sm6Ti2Sb10
18
193
474.52
mp-13237
-5.038176
-4.636704
6.290178
other
Dy10Si6B2
18
193
401.39
mp-18021
-5.812232
-0.746652
3.1884
other
Ge6Mo10C2
18
193
258.09
mp-1189895
-5.60423
-1.779769
3.723306
original
Ta10Ge6B2
18
193
273.21
mp-1209653
-6.272913
-4.769192
1.813608
other
Pr6Ti2Sb10
18
193
494.27
mp-1105851
-5.462976
-3.41812
2.529053
other
Hf10Cu2Sb6
18
193
359.51
mp-1197793
-6.602522
-3.025196
6.422903
other
Tm12Al86Cr8
106
193
1,803.81
mp-1209105
-6.69221
-2.509482
6.352589
other
Sm12Al78Cr16
106
193
1,809.43
mp-1208035
-5.587061
-3.760093
1.662171
other
U10V2Sb6
18
193
428.22
mp-1208283
-5.859869
-3.256145
3.515142
other
Ti10Co2Sn6
18
193
317.27
mp-1188823
-6.090587
-0.830676
3.826094
other
V10Si6B2
18
193
218.47
mp-1213873
-7.247723
-5.818885
4.251933
other
Ce10Sn6Au2
18
193
522.47
mp-1181755
-6.931703
-4.855134
5.821224
other
Dy10Ge6B2
18
193
411.9
mp-696132
-5.585579
-3.715732
3.584979
other
Zr10Zn2Pb6
18
193
396.65
mp-1180331
-6.344349
-0.942894
4.105003
other
Mn6V4Si6
16
193
207.46
mp-1212360
-6.635
-3.538542
6.414058
other
Ho12Ti8Al86
106
193
1,848.82
mp-570864
-7.697828
-6.405272
5.712321
other
Er10Ni2Pb6
18
193
466.88
mp-556777
8.454335
3.893774
-7.191784
other
Li4C2O6
12
193
100.95
mp-17525
-6.176046
-2.220847
3.591496
other
Nb10Pt6O2
18
193
285.75
mp-1105693
-5.432273
-3.318272
2.219836
other
Zr10Sb6As2
18
193
384.04
mp-1207747
-6.554778
-3.13184
6.360075
other
Yb12Al86V8
106
193
1,861.39
mp-1208501
-6.634503
-3.700737
6.361187
other
Tb12Ti8Al86
106
193
1,901.79
mp-39105
1.02843
1.690608
2.689867
other
Mg4Ta8N12
24
193
246.15
mp-1189764
-5.30889
-3.574277
2.350317
other
Zr10Fe2Sb6
18
193
377.8
mp-1105708
-6.810067
-5.042764
5.978985
other
Pr10Ge6C2
18
193
472.27
mp-8045
-5.498339
-0.829453
2.257965
other
V10P6N2
18
193
208.25
mp-1207829
-6.675638
-2.91578
6.405695
other
Yb12Mn8Al86
106
193
1,829.35
mp-1207406
-5.968416
-3.389994
4.27033
other
Zr10Al6N2
18
193
335.02
mp-16002
11.643442
11.081086
2.306943
other
U4Ta12O38
54
193
706.57
mp-1208861
-6.234848
-4.927889
1.965963
other
Sm6Hf2Sb10
18
193
484.76
mp-1189015
-5.129642
-4.458822
6.040433
other
Er10Si6C2
18
193
383.39
mp-1210290
-6.455366
-3.542024
6.214165
other
Nd12Ta8Al86
106
193
1,923.88
mp-1208279
-5.802256
-3.294033
3.476104
other
Ti10Ag2Sn6
18
193
336.78