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-19785
8.006594
11.401734
1.526792
other
Ho4Fe4O12
20
62
223.94
mp-4468
-4.408984
-1.302611
-5.493239
other
Cu4Sb4S8
16
62
334.64
mp-20407
7.732411
11.172076
1.466431
other
Nd4Fe4O12
20
62
239.48
mp-769348
10.111414
9.731524
0.493984
other
Mg4Sn4O12
20
62
228.08
mp-639719
10.836854
11.038414
-3.813145
other
Cu12Mo8O36
56
62
793.27
mp-770540
12.862402
7.966225
-8.018499
other
Mn8P4O20
32
62
374.9
mp-1198564
-6.91813
-5.868576
3.80971
other
Eu12Cu12Ge12
36
62
772.75
mp-754787
7.706454
9.016354
0.417284
other
Sm4Tl4O12
20
62
299.2
mp-1103180
-6.086461
-1.279405
2.774096
other
Ta4P4Ru4
12
62
167.78
mp-4387
10.126659
9.697515
4.05142
other
Sr4Zr4O12
20
62
278.22
mp-20313
13.784389
8.819389
-1.223424
other
Fe8Si4O16
28
62
302.97
mp-1189977
-4.7987
1.465348
3.494077
other
Dy4B8Ru4
16
62
201.02
mp-651582
-6.064106
-3.286192
-2.130967
other
Mn4In8Te16
28
62
926.95
mp-20525
9.317336
5.545037
-6.18927
other
Cu4S4O16
24
62
269.16
mp-28997
-6.808889
-4.470737
5.564882
other
Y8Al4Ge12
24
62
511.99
mp-776406
12.709118
7.48925
-6.023161
other
Te4P4O20
28
62
361.11
mp-17942
-5.947389
-1.273832
0.859694
other
Mg4Ni8P4
16
62
200.23
mp-1209667
-1.217073
2.443179
-2.157133
other
Rb8La4I20
32
62
1,405.92
mp-1217533
-5.533241
-3.790691
-0.66862
other
Tb4U4Te12
20
62
631.07
mp-12453
-3.355721
-2.322618
-5.879992
other
Ho4Cu4S8
16
62
325.63
mp-752793
9.441526
0.673042
0.870895
other
Li8Ag4F12
24
62
286.79
mp-1193071
-4.630958
-3.246415
-3.568953
other
Eu4Bi8Se16
28
62
821.61
mp-1189769
-8.561069
-4.967431
3.377959
other
Dy4Ga4Pd8
16
62
289.55
mp-1214435
1.805364
3.180205
-4.04113
other
Ba4Cl4O4
12
62
305.28
mp-759184
10.035323
2.270151
2.034101
other
Li12V4F20
36
62
428.33
mp-1177798
9.964956
2.123877
1.695269
other
Li16V8F40
64
62
795.99
mp-20129
7.132471
8.366373
-0.656598
other
Ba4Tb4O12
20
62
348.29
mp-1095491
-7.595398
-4.333577
3.620802
other
Y4Co4Sn4
12
62
244.63
mp-985277
-3.923691
-3.977276
-3.060435
other
Ce8U4Se20
32
62
839.62
mp-1191353
3.452949
-0.545448
-2.68596
other
Rb4Ga4H16
24
62
449.55
mp-1044386
6.165305
11.234982
-1.479442
other
Zn4Ni12O28
44
62
547.22
mp-1232124
-2.709914
-2.649671
-5.77336
other
Dy8Mg4S16
28
62
687.26
mp-1105591
2.990647
3.064882
-4.07477
other
Cd4N4Cl12
20
62
625.72
mp-866844
-3.384813
-1.603544
-5.786258
other
Ca4Sn4S12
20
62
458.07
mp-1211270
-0.328656
1.047561
-4.404699
other
K4Yb4Br12
20
62
686.69
mp-1214168
-0.506028
1.354581
-5.039152
other
Cs8Co4Br16
28
62
1,078.22
mp-1209575
-1.238365
2.523614
-2.206835
other
Rb8Nd4I20
32
62
1,386.46
mp-1188244
-2.735741
0.498097
2.565428
other
Lu8Re4C8
20
62
313
mp-4038
-2.590178
-3.047927
-5.267871
other
Sm12S12N4
28
62
626.16
mp-1245682
0.633739
2.946898
1.867625
other
Fe4Ag4N4
12
62
168.86
mp-17490
-4.503084
-5.560888
0.462016
other
Rb20Si4As12
36
62
1,260.34
mp-23399
-1.217523
3.031996
-2.859699
other
Rb8Ag4I12
24
62
1,028.43
mp-1020609
12.385454
6.710784
-0.92199
other
Zn8Si4O16
28
62
308.74
mp-767609
10.018852
2.291899
0.608327
other
Li4V4F20
28
62
328.02
mp-1191351
3.438565
-0.58861
-2.688014
other
Cs4Ga4H16
24
62
504.93
mp-31295
-8.086935
-5.31191
2.873196
other
La12Sn24Pd16
52
62
1,270.64
mp-680718
13.909089
4.231825
-2.168057
other
Er16B48O96
160
62
1,451.66
mp-725917
10.999998
4.58516
-7.590934
other
Hf4S4O24
32
62
439.18
mp-27402
1.509555
2.387162
-5.511306
other
Na8Co4Cl16
28
62
692.83
mp-1184037
8.495053
1.184556
-3.923853
other
Cs4H20N8
32
62
415.49
mp-1201358
-3.949382
-3.736549
-2.955023
other
Sr4U8Se20
32
62
818.2
mp-1246908
1.661647
1.953665
1.305757
other
Ca16Te4N16
36
62
691.63
mp-756546
12.157069
11.001773
0.94421
other
Sc4V4O12
20
62
215.78
mp-4529
10.330941
4.383472
-6.818333
other
K8S4O16
28
62
426.89
mp-753484
11.589534
12.898913
-0.564205
other
Cr4O4F4
12
62
143.17
mp-23348
-0.494285
1.356079
-4.481216
other
K4Fe4Br12
20
62
584.01
mp-1193896
3.381181
-0.716089
-2.411381
other
Ba8H16Pd4
28
62
486.9
mp-4325
11.414984
4.285415
-7.825895
other
Zr4S8O32
44
62
513.39
mp-20331
-4.758558
-2.758118
-3.981178
other
Cu4Sb4Se8
16
62
383.65
mp-1208557
-6.099204
-1.882749
3.847898
other
Ta4Si4Ni4
12
62
159.19
mp-1232085
-4.385913
-4.217807
-3.856947
other
Tm8Mg4Se16
28
62
777.38
mp-20395
-6.211671
-1.614552
1.861374
other
V4As4Rh4
12
62
174.71
mp-29074
8.037633
1.975269
-0.965436
other
Te28As8F48
84
62
1,900.55
mp-755798
10.643825
10.241611
3.108051
other
Zr4Pb4O12
20
62
291.64
mp-504935
6.260748
8.691788
-0.90646
other
K8Pb4O12
24
62
444.09
mp-1192449
6.481503
6.021158
-3.673254
other
N4Cl4O16
24
62
419
mp-1209126
-5.22877
-3.413115
4.791188
other
Sc12Nb8Si16
36
62
620.09
mp-23390
1.345015
2.522202
-5.758496
other
Rb4Cd4Cl12
20
62
551.86
mp-1210940
-6.858015
-4.730732
5.659482
other
Li4Y16Ge16
36
62
812.6
mp-1105094
1.301255
2.298747
-5.439922
other
Tl4Hg4Cl12
20
62
568.72
mp-1195592
-4.512275
-5.451286
0.693483
other
Ba24Ga8As24
56
62
1,890.54
mp-1199662
-0.399805
1.349481
-4.762251
other
Cs16Tl8Br40
64
62
2,758.69
mp-22203
8.012231
11.816581
2.151789
other
Sm4Mn4O12
20
62
231.51
mp-542104
12.280883
12.255094
-2.131642
other
Sr4V12O28
44
62
647.84
mp-1209810
10.261065
9.592613
-1.931113
other
Ni4Te4O12
20
62
239.58
mp-985558
-2.927804
-2.681931
-4.431257
other
Ce8U4S20
32
62
736.63
mp-1102693
-5.918234
-1.869627
3.804648
other
Zr4Ge4Mo4
12
62
212.58
mp-540592
10.132954
9.482262
-2.008805
other
Fe8Te12O36
56
62
785.96
mp-1189387
-4.38765
1.50191
3.223813
other
Pu4B8Ru4
16
62
199.54
mp-16356
-7.371467
-1.861733
3.104641
other
Ti4Ni4Ge4
12
62
164.53
mp-570711
-8.170061
-5.921521
3.124695
other
Yb12Ge12Au12
36
62
753.23
mp-753360
7.847525
2.587639
0.889367
other
Bi4O4F4
12
62
184.63
mp-755579
8.838961
10.194239
-0.051616
other
Na12Ni4O8
24
62
378.14
mp-770767
6.791247
10.294086
0.291287
original
Sm4Cu4O12
20
62
235.78
mp-19024
11.973847
10.721238
1.108716
other
Ho4V4O12
20
62
222.63
mp-1101849
-8.715079
-5.363721
4.011779
other
Y4Ga4Pd4
12
62
235.26
mp-1245941
1.842756
2.345483
0.711357
other
Cs4Mg4N4
12
62
319.36
mp-19793
5.653758
10.872602
-1.176684
other
Yb4Fe4O12
20
62
215.59
mp-1200091
8.208047
7.041647
-5.052058
other
Zn12P8O48
68
62
1,023.62
mp-646920
-4.691658
-5.980661
0.671614
other
K20As12Pb12
44
62
1,585.3
mp-21154
-7.211133
-1.966522
5.865784
other
Tb4Mn4Ge4
12
62
233.43
mp-510719
3.393518
-0.682777
-2.449192
other
Sr4Ga4H16
24
62
310.44
mp-1187888
8.362176
2.228103
2.662914
other
Y4Se4F4
12
62
262.7
mp-1186304
-5.411395
-4.285562
0.443165
other
Nd4As8Au4
16
62
349.14
mp-17835
-3.615548
-1.494873
-5.436513
other
Sn8Sb8S20
36
62
942.28
mp-556785
8.379395
1.747562
-0.170581
other
Rb8Te8F40
56
62
972.59
mp-1238812
-5.478501
-0.187257
-5.799226
other
Na4Cr8S16
28
62
498.4
mp-1209729
12.311468
10.578499
1.577139
other
Pu4V4O12
20
62
243.51
mp-510328
-0.241919
1.077529
-0.366415
other
Na4Cu20C24
48
62
578.67
mp-1209654
-0.334952
0.888837
-4.144258
other
Rb8Ce4Br20
32
62
1,124.67