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-1105697
8.452019
3.759533
-6.59937
other
Pb4C4O12
20
14
283.01
mp-1198831
9.222353
7.358858
-5.661701
other
Ti4P8O36
48
14
687.92
mp-759170
10.475398
0.903881
1.711346
other
Li8Mn12F32
52
14
689.99
mp-27382
8.942402
2.145181
1.905478
other
U8Tl8F40
56
14
910.26
mp-1207731
9.999905
10.449865
-3.935302
other
Yb4Mo8O30
42
14
711.88
mp-1213226
12.926079
5.959988
-6.115702
other
Cs4P4O12
20
14
371.03
mp-1178972
8.271979
2.054051
-0.349823
other
U4Sb8F60
72
14
1,422.24
mp-1182851
9.823549
8.004538
-6.337842
other
Co12P8O36
56
14
918.64
mp-15577
10.356134
8.321708
2.127552
other
Pr16Ga8O36
60
14
956.7
mp-606511
-7.900298
-4.143896
3.305334
other
La4Ge8Pt8
20
14
390.16
mp-850901
5.800954
12.342649
-2.486333
other
Fe6O8F4
18
14
199.18
mp-29943
8.469194
3.95927
-4.507329
other
H40N8O40
88
14
845.29
mp-1198766
7.828876
7.581378
-4.055403
other
Mn4Se8O36
48
14
673.07
mp-29690
10.30326
9.208015
-1.926404
other
Tl8Te8O20
36
14
677.89
mp-779282
9.262802
9.737702
-0.064053
other
Li36Bi20O52
108
14
1,536.78
mp-779690
9.880011
9.112039
-2.303022
other
Hg4Te8O24
36
14
634.89
mp-776667
7.654676
10.21036
-3.769498
other
Cr12Fe8O48
68
14
995.36
mp-771640
-1.257706
1.944578
-1.643925
other
Ba8Sr8I32
48
14
2,374.89
mp-646669
-3.287099
-3.803035
0.517495
other
P112Pb20I8
140
14
3,529.63
mp-705034
8.575401
9.673749
-2.459931
other
Cr8Pb40O64
112
14
2,175.16
mp-1195567
10.532528
9.584469
-1.653683
other
Sc8Te12O36
56
14
880.01
mp-1180143
7.901903
4.555055
-7.297679
other
Mn4C4O12
20
14
220.25
mp-1204691
11.50274
5.611491
-2.780153
other
Pr4B20O40
64
14
698.63
mp-1203579
7.002139
6.812173
-3.788145
other
Sm4I4O36
44
14
651.56
mp-626913
10.670128
8.954215
-4.986783
other
V12H8O32
52
14
599.18
mp-772193
11.074192
4.319629
-3.427529
other
La8H24O24
56
14
849.3
mp-554614
10.810423
8.020443
-4.46217
other
Cu6As4O16
26
14
296.6
mp-771253
10.421711
9.39833
3.677592
other
Sm8Zr8O28
44
14
645.83
mp-1336251
9.090788
11.527205
-4.146556
other
V16Co8O56
80
14
1,067.16
mp-560745
6.115851
5.204821
-4.36077
other
Au2N10O28
40
14
504.03
mp-1207972
-6.119909
-3.047496
4.304568
other
U4Ti6Ge8
18
14
334.56
mp-558059
10.744193
-0.105738
0.290197
original
Li2Mn2F8
12
14
128.71
mp-1196690
8.300515
7.521972
-4.220428
other
Np12Se4O52
68
14
1,185.73
mp-850529
-1.175678
2.019869
-1.925613
other
Sr4Ca4I16
24
14
1,104.65
mp-1029779
2.313767
2.248465
1.684084
other
Zn4Ge4N8
16
14
197.67
mp-1338829
6.382841
11.961315
-1.958776
other
Zn8Co24O56
88
14
1,008.21
mp-554255
-2.46209
-0.715576
-5.284879
other
Ba12P8S32
52
14
1,377.54
mp-1192830
9.946789
10.797926
-4.012324
other
Cu6Mo4O20
30
14
428.37
mp-27511
8.850424
2.547426
-0.500098
other
Mo8O8F32
48
14
701.04
mp-1213170
10.023169
10.796301
-3.798692
other
Er4Mo4O20
28
14
408.77
mp-16402
-2.940246
-2.321903
-5.927088
other
Tb16Si12S48
76
14
1,757.36
mp-770670
10.061801
8.200327
-6.826967
other
Mn8P16O56
80
14
970.14
mp-760953
11.840509
10.861932
-0.025397
other
Na12V4O12
28
14
405.55
mp-1194637
8.843864
2.001194
1.984993
other
Rb8U8F40
56
14
908.73
mp-1197301
8.098467
7.287455
-4.796388
other
Np8S4O40
52
14
804.47
mp-542850
7.340245
10.493271
-0.92258
other
Na16Ru8O32
56
14
746.14
mp-727934
7.774704
9.566928
-3.513335
other
Cr4Bi4O20
28
14
420.67
mp-3765
13.143866
6.064707
-6.473067
other
Sr8P16O48
72
14
995.13
mp-616565
7.720865
9.889789
-3.809004
other
Rb8Cr16O52
76
14
1,337.32
mp-561130
-3.662324
-1.603416
-5.686076
other
Na24Ga8S24
56
14
1,237.27
mp-1104224
7.21627
8.688927
-2.440715
other
K4Pd2O8
14
14
259.05
mp-771829
-1.184137
2.013799
-1.859017
other
Sr8Y4I28
40
14
1,616.46
mp-607829
-1.238194
2.683466
-2.938458
other
Al4Tl4I16
24
14
1,067.61
mp-770128
9.731514
8.572154
0.120974
other
Cs12Ti4O14
30
14
727.7
mp-1196207
8.030277
9.954477
-3.430032
other
Cr8Bi12O44
64
14
990.88
mp-562111
11.499571
7.997629
-4.627406
other
Co12As8O32
52
14
577.38
mp-573145
-3.865089
-1.38235
-5.728261
other
Cs4Ga12S20
36
14
967
mp-23332
11.137194
7.353254
-3.793377
other
Bi4P4O16
24
14
337.34
mp-779477
10.73446
11.589468
2.42038
other
Na8Ti8O20
36
14
595.81
mp-1202353
-2.662357
-0.703735
-5.331603
other
K16P8S24
48
14
1,387.6
mp-1213882
10.100628
10.295094
3.073732
other
Ce4Ta4O18
26
14
360.24
mp-556273
5.107314
2.881919
-3.973371
other
S32N40Cl8
80
14
1,669.58
mp-1211068
7.510001
7.961884
-3.949231
other
Mn2P4O20
26
14
314.51
mp-30010
8.210746
2.143753
-1.086885
other
As4Kr4F28
36
14
547.9
mp-861057
7.196906
9.368638
-0.22142
other
Ca8Tl8O20
36
14
510.56
mp-1215110
7.408609
8.047563
-3.974994
other
Co4Mo12O72
88
14
1,659.31
mp-1198780
10.739033
9.379397
-0.54719
other
Li8Sb8O16
32
14
485.67
mp-26340
10.190045
8.353311
-7.089389
other
Mn4P8O28
40
14
477.83
mp-574040
-0.42136
1.124903
-4.454905
other
K4Sn2Br12
18
14
606.56
mp-11008
-4.090172
-2.630933
-3.29108
other
Ba4P4Se12
20
14
594.56
mp-28619
10.232853
8.391315
-3.602511
other
V4Se4O16
24
14
305.6
mp-627029
10.669573
4.005672
-3.529914
other
Ba8H16O16
40
14
528.44
mp-754018
12.816459
-0.765671
0.208622
other
Mn4O4F4
12
14
141.63
mp-555840
12.550543
6.248345
-5.908591
other
K8P4O16
28
14
459.07
mp-1190906
6.205808
5.872084
-4.448256
other
Zn2N4O16
22
14
287.88
mp-1213856
7.248525
7.52849
-4.012335
other
Co4Se4O20
28
14
398.82
mp-560538
-3.532372
-1.590333
-5.731351
other
Na24Al8S24
56
14
1,227.16
mp-1247386
1.934592
2.178883
0.8667
other
Rb12B4N8
24
14
561.59
mp-1198032
8.221759
2.235875
-1.024007
other
Cs4Br8F28
40
14
736.7
mp-756945
10.803258
0.886597
1.864461
other
Mn6O4F4
14
14
189.76
mp-17722
10.530362
10.574839
3.333045
other
Pr4Ta4O16
24
14
322.22
mp-11793
-4.46434
-3.907635
-3.937082
other
Sm4Cu4Se8
16
14
350.38
mp-4589
13.595294
5.236183
-6.402597
other
Pr4P4O16
24
14
298.59
mp-28630
2.091691
2.155352
1.199037
other
Na12B4N8
24
14
325.18
mp-17460
-5.136715
-3.502578
5.778138
other
Lu10Co8Si28
46
14
710.73
mp-772916
-1.244457
1.906538
-1.631404
other
Ba12La8I48
68
14
3,288.26
mp-571453
1.502657
2.483493
-5.587847
other
K4Sn2Cl12
18
14
511.38
mp-1209457
2.896064
2.879355
-4.28471
other
Sb12Cl44F16
72
14
2,145.18
mp-29291
7.875377
2.796172
-1.522739
other
I8O12F24
44
14
756.95
mp-8195
-4.528559
-5.288531
0.728031
other
Ba8Ge4As8
20
14
644.06
mp-1211211
7.326218
7.554789
-4.015452
other
Mn4S4O32
40
14
759.11
mp-766349
-1.238314
1.925012
-1.690639
other
Ba4Ca4I16
24
14
1,196.7
mp-777488
10.004274
0.474623
0.62254
other
Li6Fe2F12
20
14
208.2
mp-755649
9.30365
8.763799
0.622694
other
K4Eu4O6
14
14
316.25
mp-1199645
9.31835
8.070716
-4.779161
other
Mn8As8O36
52
14
725.58
mp-626378
11.644914
7.939354
-3.412765
other
As12H4O24
40
14
572.97
mp-753383
8.619982
1.133236
-0.417325
other
Li4Ag4F16
24
14
341.05
mp-5206
10.344818
12.69698
-3.779145
other
Sr4V24O60
88
14
1,132.27
mp-1192145
3.408391
-0.560729
-2.5052
other
Li4Ga4H16
24
14
283.28
mp-1210231
7.627802
8.188135
-3.493172
other
Na8P8O32
48
14
703.94