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-556006
2.562164
3.005797
-4.490657
other
Os4Cl16O4
24
14
617.87
mp-541378
-3.89461
-1.815012
-5.226641
other
Cs4Bi4S8
16
14
555.05
mp-559897
8.449403
2.518389
-1.249074
other
Os8O16F24
48
14
753.15
mp-562456
14.42681
8.19582
-4.959768
other
Fe12P8O32
52
14
631.19
mp-9047
-3.008162
-0.793526
-5.433043
other
Rb4B4S12
20
14
479.13
mp-29977
-3.427891
-1.307306
-5.460977
other
Rb12B4S12
28
14
848.26
mp-1246336
1.353724
2.230846
1.239774
other
Li12Rh4N8
24
14
346.58
mp-18504
-4.760502
-5.023319
0.35435
other
Ca12Ge8As16
36
14
888.69
mp-560560
12.568797
6.457337
-0.91141
other
Cd12Si12O36
60
14
766.93
mp-768211
9.161722
8.471244
0.213774
other
Cs12Ho4O12
28
14
745.16
mp-27657
13.794401
4.20091
-2.26921
other
Ca8B24O44
76
14
741.43
mp-768402
-0.190223
0.783946
-3.735351
other
Ba12Y8Br48
68
14
2,439.93
mp-558487
13.16543
6.511579
-6.747134
other
Gd4P20O56
80
14
1,007.59
mp-30982
9.736108
5.54241
-5.384742
other
Ag8S4O12
24
14
373.29
mp-1273773
14.092706
11.991993
-2.31632
other
V4O4F8
16
14
194.58
mp-559636
13.779694
4.127311
-2.272953
other
K12B36O60
108
14
1,357.21
mp-1105868
7.809036
5.115208
-6.031612
other
K4C4O12
20
14
323.3
mp-1210536
-0.241119
0.974127
-4.146971
other
Na6Dy2Br12
20
14
590.8
mp-770639
10.582102
11.363432
-1.801795
other
Y8W8O36
52
14
657.23
mp-1101891
-4.423444
-3.589296
-2.567878
original
La4Sb4Se4
12
14
342.61
mp-758060
8.194763
4.539604
-6.841471
other
Fe8C8O28
44
14
575.74
mp-1190777
6.255658
5.909176
-4.566509
other
Co2N4O16
22
14
275.51
mp-768426
-1.247138
1.926868
-1.614143
other
Ba8Y4I28
40
14
2,198.69
mp-559807
8.296402
2.291331
-0.939121
other
Sb8Br4F68
80
14
1,285.45
mp-37961
10.581486
12.47282
-3.774862
other
Mg4V12O32
48
14
624.38
mp-1193050
7.927536
7.26056
-3.996837
other
Cs4Se4O16
24
14
514.44
mp-510458
7.15841
1.973237
-4.067318
other
H16C16N16
48
14
545.22
mp-761759
8.216813
2.404277
-1.017851
other
Sb4O4F12
20
14
366.75
mp-542300
13.821495
4.20316
-2.392493
other
Na8B32O52
92
14
954.69
mp-30219
1.615961
2.423576
-5.453362
other
K4Ga4Cl16
24
14
703.13
mp-16785
10.248045
9.820573
-1.691258
other
Pu4Te8O24
36
14
561.62
mp-1182916
6.864707
6.163517
-3.888473
other
Al4Se4O40
48
14
741.75
mp-1178539
9.123647
8.412835
0.31145
other
Cs12Sc4O12
28
14
727.32
mp-1100347
-3.376596
-1.77294
-5.640557
other
Ca8Sn4S16
28
14
709.26
mp-3180
10.664028
10.250578
-1.265615
other
Ta8Te8O36
52
14
774.58
mp-1179604
4.699021
4.386911
-4.146502
other
Sb4Cl24O12
40
14
1,139.39
mp-1377161
9.504327
0.802789
-0.417798
other
Zn4Co4F20
28
14
351.45
mp-1043444
8.538486
8.279319
-3.404856
other
Ni4Ge8O24
36
14
470.7
mp-760370
7.95864
2.372683
1.103187
other
Bi24O20F32
76
14
1,168.7
mp-1196645
8.170738
6.602177
-5.418465
other
Cd8S4O24
36
14
532.6
mp-27292
8.407431
2.013935
-0.52432
other
Hg6As4F24
34
14
549.13
mp-732162
5.532157
5.210373
-3.946043
other
I2Cl8O8
18
14
487.08
mp-1226084
-5.507387
-1.470306
-3.106874
other
Co2Ni2Se8
12
14
203.81
mp-560112
9.443431
12.296124
-1.441265
other
Fe8Te4O20
32
14
418.55
mp-1237257
9.957521
9.452878
0.964986
other
Lu4Sb4O16
24
14
287.15
mp-1080287
-4.289552
-3.635746
-3.342236
other
Ce8Sb8Se20
36
14
1,055.23
mp-540690
11.307692
12.415642
-3.354252
other
Cs4V8O20
32
14
550.63
mp-1210926
8.207216
9.284748
-3.780166
other
Pr4Re12O64
80
14
1,385.11
mp-1048114
9.041469
1.190233
-0.399084
other
Ba4Cr4F28
36
14
549.45
mp-8324
10.493716
7.527321
3.311811
other
Dy8S8O4
20
14
383.47
mp-662527
12.450839
7.606516
0.147498
other
Ce8Si8O28
44
14
641.17
mp-29549
4.002068
-0.205484
-2.280821
other
Si4P16H32
52
14
882.35
mp-555797
11.36405
7.288466
-4.123797
other
Zn32As16O72
120
14
1,504.1
mp-1247506
0.556963
2.269563
1.976403
other
Li2Re6N12
20
14
212.17
mp-558525
10.29294
12.173818
-4.101412
other
V16Fe8O52
76
14
1,113.18
mp-1208098
7.604903
6.611314
-3.136749
other
Tm4I12O36
52
14
767.81
mp-982366
10.790822
7.725378
3.035694
other
Tb8S8O4
20
14
389.6
mp-647366
1.678126
2.803423
-4.993955
other
K4I4Cl16
24
14
819.78
mp-1212596
14.119057
5.393847
-1.631177
other
Eu8B8O20
36
14
483.94
mp-583476
-1.384332
1.884634
-2.635789
other
Nb28S8I76
112
14
4,835.4
mp-29596
2.052936
1.753867
1.495596
other
Ca12Al4N12
28
14
409.5
mp-3932
12.532365
6.326209
-0.109056
other
Ca12Si8O28
48
14
663.83
mp-1372756
7.701916
9.368252
-3.280083
other
V4Bi4O20
28
14
489.8
mp-1209258
6.079705
3.632784
-4.186356
other
S24N20O16
60
14
1,052.68
mp-756136
-1.041638
2.276472
-2.790897
other
Ca4Pb4I16
24
14
1,144.14
mp-12984
-4.397475
-3.978613
-3.945283
other
Tb4Cu4Se8
16
14
338.64
mp-30941
10.033556
9.466145
-2.067399
other
Cd8Te12O36
56
14
799.03
mp-778606
6.084482
10.54204
-1.32624
other
Na28Fe8O32
68
14
965.46
mp-21580
8.660456
1.257049
0.47313
other
Eu4Sn4F28
36
14
545.63
mp-1192541
-5.815767
-3.888786
-1.862458
other
Ho12Te12N4
28
14
782.74
mp-542694
7.496781
6.488287
-3.159474
other
H4I12O32
48
14
715.23
mp-770743
10.438243
10.593922
3.497163
other
Li8Hf8O20
36
14
435.6
mp-1202722
5.408111
-0.378269
-3.03709
other
Mg4B8H24
36
14
637.17
mp-572970
1.830315
2.951288
-4.586561
other
W8S8Cl32
48
14
1,636.4
mp-4165
11.620871
10.957184
3.412736
other
Ta4N4O4
12
14
128.6
mp-1201412
8.555885
8.8445
-0.248653
other
Cs20Fe4O16
40
14
1,064.63
mp-1201710
9.120245
5.59029
-6.062824
other
W4S8O36
48
14
670.49
mp-1198277
7.925313
7.774189
-3.933128
other
U8Cl4O36
48
14
1,061.41
mp-756689
8.033965
8.977206
0.495208
other
La4Sb2O12
18
14
292
mp-31008
10.449862
8.313994
0.504333
other
Na28Al8O26
62
14
860.6
mp-1200488
7.284542
6.284902
-3.995165
other
K12V8O48
68
14
1,094.4
mp-567532
1.43291
1.938861
1.358206
other
Sr32Mn12N36
80
14
1,479.09
mp-20274
12.671215
7.694472
-6.783917
other
Co8P8O28
44
14
479.97
mp-771134
9.58375
7.795344
-6.216535
other
Co8P8O32
48
14
880.84
mp-559257
10.136114
9.345996
-1.991016
other
Ag8Te8O24
40
14
600.04
mp-727168
6.276987
5.352894
-4.292596
other
Zn2N12O32
46
14
668.02
mp-27694
7.988789
5.114229
-3.846795
other
H12Cl4O20
36
14
365.92
mp-1204483
8.064368
7.30042
-4.027543
other
Hg8Se8O28
44
14
806.67
mp-29260
9.572693
7.088288
-3.692002
other
Ti2Se4O12
18
14
252.73
mp-555390
8.193027
9.331735
-3.89311
other
Tc4O12F4
20
14
300.93
mp-752642
13.470497
9.105304
-4.787273
other
V4As4O16
24
14
290.3
mp-558358
13.838202
4.26332
-2.337164
other
Ca4B24O40
68
14
692.71
mp-637926
-7.863345
-5.283099
5.539872
other
La4Ga4Ni4
12
14
250.43
mp-1211855
1.534939
2.648382
-5.308735
other
K4Yb8Cl28
40
14
1,095.03
mp-563023
8.868793
0.36889
0.591706
other
Cs14Ni8F30
52
14
973.19
mp-672273
1.700137
2.366138
-5.047465
other
Al4Bi4Cl24
32
14
990.81
mp-1343054
10.7361
9.081385
1.467603
other
Y4Sn4O12
20
14
288.86
mp-770834
8.655666
12.377596
-0.206834
other
Li20Fe4O16
40
14
407.15
mp-1180022
11.200896
11.191629
-2.818688
other
P4W18O62
84
14
1,219.54
mp-1214185
6.559538
2.438319
-3.091407
other
C32Cl12F8
52
14
786.01