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-662549
-5.87992
-3.461747
-1.831722
other
Cs8Ge4Te16
28
62
1,165.33
mp-1106229
-4.726716
1.312132
3.497119
other
Y4B8Os4
16
62
201.59
mp-1103655
-7.644762
-3.405056
4.768113
other
Y4Ni4Ge4
12
62
211.14
mp-753519
9.190666
7.75384
-5.741002
other
Cu4P4O16
24
62
305.6
mp-21851
-7.116664
-2.121516
4.01141
other
Mn4Si4Ir4
12
62
171.57
mp-754599
9.726407
8.409365
3.225413
other
Ba4Tm8O16
28
62
419.98
mp-781646
10.236307
9.709551
3.340218
other
Tb8Ti4O20
32
62
427.51
mp-505001
-0.400571
1.405682
-4.644705
other
Rb12Zn4Br20
36
62
1,290.64
mp-19841
-7.91064
-2.556069
5.310296
other
Er4Ge4Ru4
12
62
218.52
mp-1188379
7.908977
11.798967
1.667119
other
Tb4Mn4O12
20
62
270.82
mp-1190835
4.759346
3.191959
-3.423181
other
K4Al4N16
24
62
624.09
mp-555262
-3.458093
-1.777005
-5.241743
other
Ba36Fe16S60
112
62
3,111.33
mp-1212392
-6.889821
-4.421861
5.504574
other
Ho8Al4Ge12
24
62
504.3
mp-7238
13.501345
4.889091
-1.405893
other
Nd4B4O12
20
62
234.25
mp-1178351
11.221361
11.586761
0.640544
other
Eu4V4O12
20
62
227.92
mp-8323
10.462458
7.51636
3.226815
other
Dy8S8O4
20
62
396.55
mp-1214064
-8.119317
-4.992755
3.922598
other
Ca8In16Rh8
32
62
716.03
mp-1207518
7.044898
10.549114
-0.393044
other
Yb4Rh4O12
20
62
226.37
mp-644236
3.151362
-0.592271
-2.519425
other
Cs8Mg4H16
28
62
672.21
mp-755841
5.771807
12.498071
-1.463347
other
Na4Ni8O16
28
62
273.52
mp-1196161
8.483817
1.860293
-0.637997
other
Ag4Au4F28
36
62
555.12
mp-763349
10.310692
1.028644
1.555964
other
Li8Mn4F16
28
62
298.76
mp-759631
9.733818
12.343342
-4.383898
other
V12O28F4
44
62
542.46
mp-1179030
8.355117
7.227221
-5.014169
other
Zn12P8O48
68
62
1,114.18
mp-1190924
8.841021
14.895799
-1.130172
other
Mn8Br4O12
24
62
347.81
mp-30931
-4.709649
-3.049607
-3.886895
other
Na16Si4Se16
36
62
932.14
mp-753508
-4.688632
-1.539804
-5.86513
other
Li4Cu4S4
12
62
196.02
mp-616175
10.473708
4.117948
-6.929381
other
Eu4S4O16
24
62
305.86
mp-1212231
-6.180984
-3.2786
1.452782
other
Hf4Ni4Sb4
12
62
212.87
mp-1044049
6.59127
9.115978
-1.152874
other
Ca4Bi12O28
44
62
722.19
mp-1103558
-8.025868
-4.931911
5.51
other
Pr4Ga4Ni4
12
62
231.29
mp-1245972
1.886959
2.350916
0.934841
other
Na4Pb4N4
12
62
251.57
mp-1103296
-7.94976
-4.250736
3.983295
other
Ce4Ni4Pt4
12
62
227.12
mp-861738
-6.052229
-7.262349
3.28028
other
Ca4Mg4Pb4
12
62
333.02
mp-1213224
-9.514409
-4.619566
3.840284
other
Er4Cu20Sn4
28
62
430.11
mp-696983
3.466638
-0.534174
-2.623657
other
K4Ga4H16
24
62
357.43
mp-4499
-2.719668
-5.708575
6.849092
other
Mg4Al4Si4
12
62
215.16
mp-1212193
-6.419536
-3.994618
1.321782
other
Hf4Sb4Pd4
12
62
236.65
mp-1095289
-4.779534
-5.28702
0.630615
other
Li4Ca4As4
12
62
245.8
mp-776689
9.97279
0.613605
0.408311
other
Li12Fe8F36
56
62
795.13
mp-1103095
-8.133269
-3.468324
5.708821
other
Tb4Ga4Co4
12
62
208.92
mp-1213791
-7.892825
-3.984174
4.684699
other
Ce4Ga4Ir4
12
62
233.66
mp-728567
-3.227393
-0.770142
-4.825623
other
W4S16N8
28
62
964.45
mp-1199966
-7.691323
-4.755396
3.24158
other
Ho12Ni12Sn24
48
62
1,045.96
mp-1188331
-4.591204
1.434124
3.41412
other
Gd4B8Os4
16
62
202.57
mp-1246800
0.748206
2.55866
2.062016
other
Fe12Si4N16
32
62
328.08
mp-1245755
1.545403
2.298049
0.991392
other
Mg4Au4N4
12
62
174.91
mp-4682
9.310771
6.955805
-3.574888
other
Zn4Se4O12
20
62
240.84
mp-19924
-3.584397
-3.091697
-3.37554
other
U4Se4S4
12
62
265.83
mp-542697
7.689856
9.908871
-0.787919
other
Rb8Ru4O16
28
62
554.45
mp-776169
10.411979
0.13543
0.332031
other
Li8Mn4F20
32
62
393.82
mp-1245573
0.930621
1.997668
1.238067
other
Li4Pt4N4
12
62
160.77
mp-28829
-0.277925
1.177347
-4.421705
other
Li8Zn4Br16
28
62
685.85
mp-557626
10.172427
9.746299
3.176536
other
Gd8Ti4O20
32
62
446.09
mp-1213783
1.312673
2.4577
-6.05708
other
Cs8Y4Cl20
32
62
1,097.57
mp-1182455
8.070274
2.37862
-1.079497
other
B4N4F16
24
62
353.24
mp-1189257
7.510263
6.198582
-2.91627
other
Sr4I8O8
20
62
635.41
mp-18335
-4.462009
-3.151826
-3.631402
other
Ba8Ge8Se20
36
62
1,102.05
mp-1191029
8.200838
4.766469
-6.609531
other
Pr4C4O16
24
62
304.68
mp-17367
-5.037634
-2.586177
-3.872238
other
Mn8Si4Se16
28
62
650.64
mp-21106
-2.850785
-2.540845
-5.459692
other
La4Yb4S12
20
62
499.02
mp-1217006
-3.564535
-2.930375
-3.501203
other
U4Se4S4
12
62
274.59
mp-21449
-5.917906
-1.003623
2.39704
other
Nb4Co4P4
12
62
152.34
mp-1214036
-9.347334
-4.700891
4.104703
other
Ce4In4Cu20
28
62
440.96
mp-23357
9.384803
8.554582
0.310917
other
Sr8Bi8O20
36
62
682.58
mp-1196011
-7.976653
-2.030536
2.906843
other
Ho4Ni20Ge12
36
62
489
mp-5637
9.55944
8.835953
1.62616
other
Sr4Zn4O8
16
62
220.8
mp-1330388
11.493335
9.519572
0.362542
other
Zn4Sn8O16
28
62
386.09
mp-998778
-0.40697
1.192212
-4.564966
other
Rb4Sn4Br12
20
62
701.03
mp-5506
-4.114575
-5.156711
5.806046
other
Ba4Al8Si8
20
62
469.91
mp-644244
3.26052
-0.53011
-2.51014
other
Rb8Mg4H16
28
62
1,047.89
mp-1101946
-6.053043
-3.875358
0.651002
other
Tb4As4Pd4
12
62
231.93
mp-1102196
-8.356504
-3.956658
4.947125
other
Er4Ga4Ir4
12
62
221.69
mp-767661
9.89836
2.112034
1.652919
other
Li8V4F20
32
62
417.15
mp-1179667
3.585587
3.441327
-3.855297
other
Ru4N20Cl12
36
62
792.61
mp-1101279
7.087615
8.886816
-0.563437
other
Tm4Tl4O12
20
62
284.7
mp-1191822
8.10232
4.832223
-6.449943
other
Sm4C4O16
24
62
301.62
mp-600186
-0.439606
1.377258
-4.900684
other
Cs8Mn4Br16
28
62
1,117.25
mp-1210851
-0.723255
2.389197
-3.342892
other
Li8I4O4
16
62
337.61
mp-569943
-1.178022
2.88865
-2.743478
other
K8Ag4I12
24
62
952.79
mp-616135
-3.640908
-4.690512
0.764473
other
Cs20Si4P12
36
62
1,366.74
mp-582274
-6.186531
-1.269575
0.816983
other
Ce4Ni40P16
60
62
736.58
mp-1194087
-2.667836
-2.699107
-5.87117
other
Tm8Pb4S16
28
62
664.45
mp-1044368
6.393017
11.751526
-1.80162
other
Zn4Co12O28
44
62
533.71
mp-1102907
-7.747004
-3.52468
4.383794
other
Yb4Ni4Ge4
12
62
207.06
mp-774985
11.99111
7.504774
-6.615993
other
Ni16P8O36
60
62
712.86
mp-1105571
-2.996123
0.362863
2.611122
other
U4Re4C8
16
62
197.57
mp-556863
8.641994
1.217211
1.6799
other
Ba12Al4F36
52
62
872.64
mp-1188853
11.361292
10.694162
1.120426
other
Ca4Tc4O12
20
62
234.85
mp-1245649
1.371115
2.446687
0.748411
other
K4Pd4N4
12
62
256.94
mp-1198754
-3.383898
-3.836512
0.475061
other
Zn4Sn4P56
64
62
1,350.4
mp-1232211
-4.473042
-4.144906
-3.745857
other
Pm8Mg4Se16
28
62
855.91
mp-1211730
-0.343638
0.989531
-4.056494
other
K8Sm4Br20
32
62
1,026.9
mp-1211431
-9.618762
-4.671499
3.92782
other
La4Cu20Sn4
28
62
449.96
mp-774812
9.724171
9.871469
0.272016
other
Na16Mn4O12
32
73
459.31
mp-674482
8.475332
14.29368
-1.064324
other
Mn8Fe8O24
40
73
435.43
mp-30129
1.760892
2.302619
1.748891
other
Li16Ta4N12
32
73
332.09
mp-1198560
-3.354998
-4.053267
0.815491
other
Li8Al8P16
32
73
559.64
mp-1205057
6.755414
6.069737
-3.89798
other
Na8Si4O48
60
73
867.06
mp-27133
-2.582546
-0.506446
-5.404257
other
Bi8P8S32
48
73
1,180.35