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-568523
4.491827
0.120775
-2.16561
other
Li4B4H8
16
62
140.21
mp-1207418
-6.256981
-1.275728
2.571379
other
Zr4Fe4As4
12
62
187.32
mp-1213672
-8.213639
-2.788694
5.450242
other
Dy12Ga60Ru16
88
62
1,519.51
mp-1212683
-7.058852
-6.841971
3.533505
other
Eu4Mg4Ag4
12
62
313.53
mp-17154
-3.561648
-1.520287
-5.214915
other
Rb12Sb4S16
32
62
1,067.92
mp-1209459
9.961905
8.894636
0.29367
other
Rb4In12O20
36
62
548.24
mp-19714
-7.685068
-2.822369
5.23979
other
Gd4Ge4Ru4
12
62
227.45
mp-1207482
8.878179
7.331231
-3.403996
other
Zn8B4O16
28
62
284.31
mp-728468
10.721825
4.306199
-7.164928
other
Th4S4O24
32
62
556.56
mp-1195831
-6.950163
-4.528498
5.54843
other
Li4Ho16Ge16
36
62
790.18
mp-19350
11.852248
10.53362
1.275722
other
La4V4O12
20
62
241.48
mp-753656
10.667685
9.271322
-0.954287
other
Sb4O4F4
12
62
193.58
mp-1191367
-7.095204
-4.688108
5.71243
other
Pr12Co4Ge8
24
62
600.26
mp-3472
10.190593
4.802205
-6.4963
other
Pb4S4O16
24
62
317.57
mp-18301
6.572803
9.544121
-2.301274
other
Rb4Mn4O16
24
62
406.83
mp-532050
10.539146
10.99404
-0.514228
other
Nd32W24O120
176
62
2,544.46
mp-1210366
-8.212143
-2.84197
5.42999
other
Y12Ga60Ru16
88
62
1,544.63
mp-1102449
-8.990304
-6.043191
3.506949
other
Sm4Al4Au4
12
62
258.99
mp-627591
-4.949518
-0.857616
-4.999905
other
Fe8Si4S16
28
62
496.56
mp-23324
-3.512381
-1.481091
-5.183237
other
Bi4S4Br4
12
62
343.13
mp-27260
1.476662
2.465729
-5.745911
other
Cs4Al4Cl16
24
62
786.84
mp-771898
10.209339
4.611096
-6.698531
other
Cs8S4O16
28
62
672.19
mp-1199518
-6.284492
-1.478085
4.015554
other
Sc8Ge16Mo12
36
62
602.58
mp-1102184
-8.139096
-4.294307
3.957729
other
Sc4Ga4Pt4
12
62
207.42
mp-1327610
8.601192
14.474373
-0.050105
other
Ca4Mn8O16
28
62
310.03
mp-27921
2.014402
2.5295
-4.526196
other
Ti16P8Cl104
128
62
4,075.91
mp-1120756
9.838468
2.780579
1.811609
other
Na4V4F12
20
62
240.03
mp-22599
6.578609
11.39852
1.061789
other
Nd4Co4O12
20
62
217.36
mp-1208666
-1.035814
2.209156
-2.345457
other
Sr4I4Cl4
12
62
396.58
mp-21119
-7.635143
-4.818453
3.702709
other
Ce4Ni4Sn4
12
62
259.53
mp-1204581
2.991254
3.60587
-4.54605
other
Mo8Cl16O24
48
62
1,097.89
mp-1020025
13.757999
4.249456
-2.451488
other
Li16B48O80
144
62
1,121.61
mp-1200368
7.686834
7.508001
-4.247201
other
U4S8O52
64
62
1,002.37
mp-1188615
-4.795302
1.418569
3.534379
other
Tm4B8Ru4
16
62
195.54
mp-1245791
1.290883
2.237504
1.353367
other
K4Ni4N4
12
62
217
mp-774848
10.307868
4.365088
-4.24649
other
H40Se4O32
76
62
700.63
mp-1191774
-4.104363
-5.504366
4.986423
other
Ba8Si8C8
24
62
622.39
mp-1176632
10.514255
0.927082
1.618576
other
Li4Mn4F12
20
62
234.26
mp-1208974
14.138345
7.967001
-4.625877
other
Sm4S4O16
24
62
317.23
mp-1201079
-6.18256
-0.371548
1.941453
other
Dy4Fe20P12
36
62
454.12
mp-18571
7.968305
10.012403
-3.676822
other
Ba4Cr4O16
24
62
373.2
mp-1205258
9.742361
10.105185
-3.825741
other
Ag8Mo12O48
68
62
998.03
mp-770812
11.237415
8.745637
2.275087
other
Sr4Ce8O16
28
62
450.44
mp-1192792
6.68968
6.965879
-2.736202
other
Sr4Ru4O12
20
62
3,116.79
mp-1192507
-8.202436
-2.569845
3.84172
other
Y4Ge8Rh16
28
62
448.45
mp-21653
1.552783
1.945373
1.360698
other
Ba12Ni12N12
36
62
723.56
mp-1194410
-4.204547
-4.212027
-3.751044
other
Ba4Gd8Se16
28
62
836.9
mp-22283
7.844356
11.284981
1.382919
other
Dy4Fe4O12
20
62
225.75
mp-1212017
-1.158892
2.287495
-2.058976
other
K8La4I20
32
62
1,331.3
mp-771031
10.336509
9.659122
3.213586
other
Lu8Ti4O20
32
62
401.14
mp-684002
-2.818698
-2.568954
-5.457673
other
La12Yb12S36
60
62
1,444.34
mp-560635
-3.946321
-0.80289
-5.015893
other
Cs8Mo4S16
28
62
962.65
mp-8140
13.304073
7.191896
-5.465872
other
As4P4O16
24
62
310.01
mp-753564
11.444769
9.024703
0.28828
other
Sn12O8F8
28
62
590.12
mp-1103032
-8.28546
-4.43168
4.009646
other
Ho4Al4Pt4
12
62
231.48
mp-669517
4.630288
2.230575
-3.081985
other
Pb4C16N24
44
62
674.69
mp-772025
10.433269
10.224379
1.312549
other
Ta4In12O28
44
62
576.57
mp-15643
-5.446076
-6.063077
3.569771
other
Sr4Mg4Ge4
12
62
308.96
mp-1192923
-3.825857
-2.070097
-5.206995
other
Eu4Bi8S16
28
62
692.7
mp-651836
9.383238
8.282207
-0.517041
other
Bi48Cl24O60
132
62
2,468.85
mp-21770
10.56596
8.026512
-4.685428
other
Cu16As8O36
60
62
764.09
mp-972224
-6.783121
-1.923609
3.861446
other
Ta4Ge4Rh4
12
62
183.24
mp-1232346
-5.625859
-0.211581
-5.792188
other
Cr8Ag4S16
28
62
485.8
mp-17673
8.623128
1.593766
2.230418
other
Lu12O8F20
40
62
473.76
mp-28612
-3.719893
-5.128919
6.036331
other
Na4Li12Si24
40
62
706.07
mp-1232041
-4.295938
-4.159389
-3.817066
other
La8Mg4Se16
28
62
908.49
mp-601267
8.131345
11.311591
0.646379
other
Nd4Fe4O12
20
62
281.65
mp-1181423
-4.838322
1.478224
3.540054
other
Er4B8Ru4
16
62
194.44
mp-1189511
7.266521
8.467766
-0.842238
other
La4Yb4O12
20
62
305.88
mp-1232331
-2.661565
-2.633113
-5.683585
other
Pm8Mg4S16
28
62
691.13
mp-776154
7.683406
12.765742
-1.121767
other
Al4Fe4O12
20
62
182.98
mp-21323
-8.040395
-3.065334
4.741981
other
Dy4Ge4Ir4
12
62
222.84
mp-755790
10.741895
10.277833
3.230944
other
Hf4Pb4O12
20
62
275.26
mp-1192805
-4.193372
-4.318305
-3.751255
other
Ba4Er8Se16
28
62
800.27
mp-1102047
-7.671499
-4.227073
3.514874
other
Lu4Co4Sn4
12
62
232.92
mp-22440
-5.825614
-3.18653
5.757046
other
Lu4Si4Ir4
12
62
204.06
mp-753246
11.464627
9.027283
0.269411
other
Sn12O8F8
28
62
595.71
mp-1198687
-2.691306
-2.619366
-5.467645
other
La8Zr4S20
32
62
708.36
mp-1198956
-2.7333
-2.749509
-5.347404
other
Nd8Th4S20
32
62
756.25
mp-1201318
6.465525
5.342874
-4.368282
other
Pb12N8O32
52
62
875.02
mp-1340758
7.009037
10.579539
0.774168
other
Y4Cu4O12
20
62
223.45
mp-1211058
12.654161
7.69307
-0.130572
other
Nd20B16O48
84
62
1,052.11
mp-608314
1.338198
2.603074
-5.874475
other
Rb8Zn4Cl16
28
62
857.25
mp-756654
10.738423
9.306592
-0.966288
other
Sb4O4F4
12
62
195.41
mp-12722
-8.54824
-4.889555
3.99615
original
Tb4Al4Pd4
12
62
237.86
mp-1232135
-4.304086
-4.23913
-3.891456
other
Tm8Mg4Se16
28
62
744.21
mp-1246553
2.257104
2.425894
1.51553
other
Li4Ge4N4
12
62
158.32
mp-1211458
-6.615531
-3.63068
1.022593
other
La4Sb4Rh4
12
62
281.82
mp-1188119
-8.557209
-5.049231
3.326478
other
Pr4Ga4Pd8
16
62
310.93
mp-570042
-8.205948
-4.490806
3.970939
other
Pr4Al4Pt4
12
62
254.82
mp-759896
10.13928
1.455035
1.047925
other
Li16V4F32
52
62
507.6
mp-755676
10.022239
10.608495
0.098787
other
Rb8Fe8O12
28
62
634.45
mp-19941
-3.454588
-1.327569
-5.367081
other
As8Pb4S16
28
62
664.37
mp-1350993
6.398692
11.242344
-1.364308
other
Ca4Ni12O28
44
62
616.47
mp-567629
-0.268001
1.406206
-4.60353
other
Cs4Pb4Br12
20
62
813.53
mp-1212718
-5.925764
-3.280414
-2.373721
other
Ga12Te12Br4
28
62
892.85
mp-559713
12.45579
7.729484
-7.378999
other
Fe12P16O56
84
62
1,111.56
mp-1212029
-0.259818
0.957469
-4.111039
other
K8La4Br20
32
62
1,061.48
mp-601852
-5.79097
-3.909767
5.651885
other
La12Si8Rh12
32
62
695.57
mp-505209
6.682103
10.052015
-1.762952
other
Rb8Mn4O16
28
62
512.8