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-1102101
-7.828509
-4.313761
3.701433
other
Sc4Co4Sn4
12
62
224.44
mp-1188409
8.188783
1.114242
-4.043314
other
Li4H8N4
16
62
100.24
mp-1103059
-8.850116
-5.570778
4.068614
other
Tm4Zn4Pd4
12
62
232.91
mp-1185232
6.570771
11.291128
1.103852
other
La4Co4O12
20
62
236.99
mp-1188769
-3.329222
0.4714
2.741607
other
Er4Mo4C8
16
62
205.5
mp-1178528
-1.280113
1.937205
-1.612815
other
Ba4Sr4I16
24
62
1,300.96
mp-1212445
-5.750021
-1.728203
4.168404
other
Hf8Si16Mo12
36
62
552.21
mp-1044349
7.370003
12.545311
-1.440382
other
Ca4Mn12O28
44
62
600.79
mp-1195761
8.791382
2.232787
1.959274
other
Rb4U8F36
48
62
732.13
mp-1199162
-2.723118
-2.64687
-4.862988
other
La8U4S20
32
62
753.98
mp-19319
8.049141
11.945223
2.032241
other
Er4Mn4O12
20
62
219.06
mp-554270
7.96631
11.990491
2.056779
other
Tm4Mn4O12
20
62
228.36
mp-752756
12.063909
-0.515459
1.11408
other
Mn8O4F12
24
62
308.39
mp-1047446
12.921985
10.663854
-0.16035
other
Zn4Mo8O16
28
62
336
mp-1210649
-4.201093
-0.197087
-3.680041
other
Nb8Fe4S16
28
62
547.08
mp-1210705
9.047931
7.405107
-2.751393
other
Mg8B4O16
28
62
283.17
mp-505300
6.804739
10.02658
-1.673361
other
Cs8Mn4O16
28
62
590.68
mp-1105153
9.50375
10.628267
0.828222
other
Sr4Os4O12
20
62
251.61
mp-1340218
6.936154
9.698003
-1.710496
other
Zn4Ag8O16
28
62
333.9
mp-1340123
10.860907
9.50274
0.001875
other
Mg4Sb8O16
28
62
400.9
mp-1224261
-5.461284
-3.748845
-0.696583
other
Ho4U4Te12
20
62
611.46
mp-28851
-4.91352
-3.07313
-4.009605
other
Na16Cd12Se20
48
62
1,217.43
mp-1029834
1.764489
1.833998
2.27308
other
Hf4Mg4N8
16
62
206.82
mp-773069
10.862773
11.545571
3.139495
other
Er4Ta12O36
52
62
623.48
mp-1191973
-4.741413
-3.146679
-3.728172
other
Ba8Fe4Se12
24
62
733.16
mp-1209488
-0.276062
0.968556
-4.215703
other
Rb8Pr4Br20
32
62
1,129.1
mp-542699
4.800184
3.086553
-3.608106
other
C8Se12N8
28
62
696.77
mp-607004
-3.347011
-4.167458
-3.739916
other
Ce8As8Se8
24
62
573.48
mp-1195875
-5.666375
-5.773974
0.678044
other
Eu4Sn12Sb16
32
62
1,030.19
mp-1204470
7.829474
0.087445
-4.519041
other
Si4H48C16
68
62
865.07
mp-1103153
-4.39685
-3.562613
-2.297135
other
Ce4Sb4Se4
12
62
328.33
mp-1211774
1.176108
1.999499
-5.501969
other
K8Sm4Cl20
32
62
878.36
mp-1232076
-4.273657
-4.237928
-3.818555
other
Er8Mg4Se16
28
62
725.52
mp-1212379
-5.02379
-4.187957
5.881256
other
Ho8Sc12Si16
36
62
726.95
mp-1379617
12.633287
11.214211
-1.128394
other
Zn4Mo4O12
20
62
226.11
mp-21274
11.75382
12.648952
-1.66291
other
V4In8O20
32
62
391.87
mp-541052
-2.631249
-2.766439
-5.549433
other
Eu4Er8S16
28
62
658.03
mp-1102110
-8.006792
-4.165263
3.568259
other
Tm4Ge4Pt4
12
62
224.64
mp-864793
-5.247932
-4.325289
0.444788
other
Nd4Ag4As8
16
62
351.02
mp-1101967
-6.14834
-1.460524
2.67454
other
Nb4Co4As4
12
62
167.3
mp-18445
-3.368616
-1.862707
-5.270936
other
Ba8Mn4S12
24
62
666.62
mp-1192231
7.293706
6.82888
-3.415184
other
Cu4I4O16
24
62
370.76
mp-1232141
-2.653788
-2.62412
-5.827772
other
Tb8Mg4S16
28
62
667.02
mp-21599
10.131371
7.364065
-1.661941
other
Eu8Si8O28
44
62
618.9
mp-1213140
-5.181864
0.783316
3.213054
other
Er4B28Mo12
44
62
435.36
mp-21495
-6.240304
-0.528074
2.310314
other
Cr4Fe4P4
12
62
134.76
mp-28603
-4.734406
-2.9141
-3.873303
other
Na4Li4Se4
12
62
231.8
mp-1197076
8.021105
4.972636
-6.012334
other
Bi4C8O20
32
62
413.74
mp-706642
7.788878
5.197024
-3.730942
other
H12Cl4O20
36
62
550.84
mp-29238
-4.579067
-2.994663
-4.06723
other
Tl4Ag4Se4
12
62
297.77
mp-1376163
12.778253
10.584052
1.829777
other
Mg4Ti8O16
28
62
280.75
mp-1209736
11.572829
10.39213
2.166643
other
Pu4Cr4O12
20
62
240.19
mp-20170
-4.081971
-3.690406
-3.63596
other
Ce4Cr4Se12
20
62
446.04
mp-22115
-6.648553
-3.442069
0.859261
other
Tb4Sb4Rh4
12
62
255.13
mp-1209132
-1.222443
2.094335
-1.848791
other
Rb4Tm4I12
20
62
850.39
mp-762352
7.933168
0.259358
-4.458592
other
P8H72C24
104
62
1,086.59
mp-19922
-7.790452
-3.297711
4.690583
other
Lu4Ni4Ge4
12
62
198.46
mp-755462
11.870805
9.339314
2.40338
other
Pr4Hf4O12
20
62
276.66
mp-752878
8.71815
0.935753
-0.09675
other
Li4Ag8F16
28
62
404.87
mp-766929
13.970936
7.408121
-4.690167
other
Sn16P8O36
60
62
966.75
mp-569707
-3.990908
-2.185621
-4.245497
other
Bi4Se4Br4
12
62
393.06
mp-1194437
-3.468659
-1.725219
-5.203881
other
Eu4Sb8S16
28
62
658.22
mp-1188226
-3.996744
-3.51773
-3.033442
other
U4Co4Se12
20
62
398.21
mp-21332
9.491262
8.690792
2.965121
other
Li4Gd4O8
16
62
206.26
mp-1205357
8.357992
0.647167
0.366128
other
K4Ag4F12
20
62
315.28
mp-770538
13.068496
7.961894
-7.946976
other
Mn8P4O20
32
62
380.34
mp-771165
10.26246
9.742286
3.365552
other
Dy8Ti4O20
32
62
422.06
mp-1044873
9.589539
7.654183
-5.356343
other
Bi8P8O36
52
62
916.56
mp-542171
-7.779211
-3.298561
4.7524
other
Ho4Ni4Ge4
12
62
207.28
mp-13380
-8.562826
-4.452953
5.424466
other
Ho4Zn4Rh4
12
62
220.27
mp-1188804
7.866288
11.802609
1.670727
other
Dy4Mn4O12
20
62
265.48
mp-505604
6.777756
11.463042
0.701141
other
Gd4Ni4O12
20
62
214.98
mp-1204731
-2.990257
-2.586064
-5.62415
other
Nd16Bi8S36
60
62
1,454.18
mp-541570
-4.595784
-2.674905
-3.428256
other
Sr4Zr4Se12
20
62
530.38
mp-20293
-7.93958
-4.289175
3.53897
other
Sm4Ge4Pt4
12
62
242.11
mp-1102980
-5.902559
-0.707887
2.588995
other
Nb4Fe4P4
12
62
151.91
mp-1190293
-3.225219
0.438495
2.609086
other
U4Cr4C8
16
62
184.04
mp-1102660
-6.781179
-0.510407
3.330863
other
Fe4Co4Si4
12
62
131.64
mp-998428
-1.293021
2.595595
-2.346535
other
Cs4Ca4I12
20
62
901.91
mp-1210500
1.152656
1.785575
-5.305815
other
Na8Gd4Cl20
32
62
755.95
mp-733455
3.166488
-0.748889
-2.151803
other
Li12H24Rh4
40
62
334.61
mp-1246792
1.792372
2.009391
1.383688
other
Mg4Cu4N4
12
62
140.04
mp-1101897
-2.882159
-3.563917
-4.726868
original
Gd4As4S4
12
62
256.3
mp-1103641
-8.027158
-3.242973
4.720899
other
Nd4Ge4Ir4
12
62
240.58
mp-13376
-8.426367
-4.895045
5.570007
other
Sm4Zn4Rh4
12
62
232.1
mp-1247531
1.072313
2.365787
1.626005
other
Rb4Mn4N4
12
62
269.6
mp-1212884
8.45419
10.533144
1.073875
other
Dy4Rh4O12
20
62
227.48
mp-5807
-4.071357
-1.056043
-5.231377
other
Mn4Sb8S16
28
62
648.82
mp-756365
9.453159
8.79331
3.345734
original
Ca4Ce4O12
20
62
301.41
mp-21871
-3.594556
-2.015774
-5.347769
other
Ce4Cr4S12
20
62
387.85
mp-1103248
-6.201091
-2.334014
5.12066
other
Ti4Si4Ir4
12
62
174.02
mp-768360
-4.767434
-0.93694
-5.281292
other
Li12Fe8S16
36
62
658.62
mp-18001
6.45122
12.234964
-1.390147
other
Tl4Ni4O12
20
62
225.19
mp-1212956
-6.889078
-4.265976
5.401103
other
Er8Al4Ge12
24
62
501.8
mp-20321
-7.572697
-3.241891
4.184074
other
U4Ge4Rh4
12
62
227.51
mp-17811
-4.621712
-2.973459
-3.587665
other
Cs12Sb4Se16
32
62
1,324.7
mp-18258
9.602611
8.336571
3.073031
other
Ba4Tb8O16
28
62
443.38
mp-541909
-5.745227
-1.261874
1.368851
other
Zr8Ni12P12
32
62
444.62
mp-20492
-5.896948
-3.186627
5.556661
other
Sc4Si4Rh4
12
62
191.47
mp-22759
-5.838339
0.276504
3.190741
other
Co4B4W4
12
62
121.21