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-1222529
-3.697625
-1.410751
-5.788237
other
Li16Ge4S16
36
19
668.11
mp-1204194
10.694058
10.159406
1.865515
other
Gd12Mo4O28
44
19
591.66
mp-29466
2.76055
2.18539
1.793674
other
Ce4Si12N20
36
19
422.53
mp-771568
-1.195214
2.024003
-1.943847
other
Sr4Ca8I24
36
19
1,578.55
mp-1197729
-7.330836
-6.150624
4.319124
other
Li8Sm20Sn28
56
19
1,475.9
mp-27931
9.516256
8.535262
0.159055
other
Rb8Sn4O8
20
19
488.39
mp-625830
11.263767
4.066946
-4.004227
other
Zn4H8O8
20
19
206.57
mp-1193053
7.376119
4.158839
-5.748935
other
Ba4C8O16
28
19
493.26
mp-1347378
7.878745
8.357451
-3.458633
other
Bi4As4O20
28
19
454.22
mp-31318
10.023728
9.223595
0.316423
other
Nd8Te4O24
36
19
518.46
mp-1106045
8.349023
1.175899
-4.012761
other
Li4H8N4
16
19
124.17
mp-781712
9.909634
9.063598
0.31075
other
Na8Sn4O8
20
19
344.22
mp-29526
6.301404
5.131801
-4.415238
other
Br4N4O12
20
19
322.47
mp-1192272
8.084732
4.947481
-6.45198
other
Tb4C4O16
24
19
308
mp-1192227
8.127892
4.786694
-6.613637
other
Er4C4O16
24
19
298.31
mp-559961
9.310702
7.075745
-3.46614
other
Tl8Se4O16
28
19
528.9
mp-28932
9.026936
2.284346
1.416016
other
Sn16O4F24
44
19
841.94
mp-1196224
-4.485224
-3.306005
-3.767947
other
Ba24Sn24Se52
100
19
3,269.62
mp-680202
9.992318
9.108242
-0.949622
other
Ag48Sn24O72
144
19
2,215.1
mp-26762
13.760639
6.976227
-6.248594
other
Sn4P12O36
52
19
720.6
mp-1196228
8.813604
11.020262
-3.864681
other
V12Fe8O48
68
19
996.45
mp-1105845
-3.477991
-2.263674
-5.831268
other
Lu4Cu4S8
16
19
321.16
mp-23866
9.220736
5.924102
-4.164702
other
H8Se4O16
28
19
314.64
mp-29966
6.177979
5.403528
-4.181299
other
N4O4F4
12
19
171.95
mp-735129
7.455766
6.532177
-4.569323
other
Yb8P24O136
168
19
3,121.67
mp-1413617
6.363279
6.046977
-3.774044
other
Na4Br4O12
20
19
431.46
mp-1179279
7.41631
6.536273
-3.928249
other
Se8N4O24
36
19
699.32
mp-29705
-3.758242
-1.613632
-5.422433
other
Rb24Sn8S28
60
19
2,030.85
mp-7339
12.415011
6.309813
-0.301276
other
Ba4Si4O12
20
19
335.46
mp-13863
11.703548
7.267521
-0.339269
original
Ba4Ge4O12
20
19
345.71
mp-774193
10.162538
10.656452
1.17922
other
La8W4O24
36
19
534.6
mp-766524
10.252925
7.958432
-6.756297
other
Ni4P12O36
52
19
635.27
mp-540496
10.525912
7.93618
-6.910697
other
Cu4P12O36
52
19
641.47
mp-640381
-3.753861
-2.065308
-5.283829
other
Yb4Cu4S8
16
19
341
mp-27996
9.792912
5.820779
-4.179391
other
H8Se4O12
24
19
269.32
mp-1227150
8.324912
1.953283
-0.673044
other
Ca4As12F60
76
19
1,125.89
mp-567855
-1.188887
2.866632
-2.814305
other
Rb4Ge4I12
20
19
816.72
mp-759495
13.0969
7.700576
-7.135663
other
Cr4P12O36
52
19
620.28
mp-626046
8.69597
4.03948
-4.396258
other
H28N4O24
56
19
531.08
mp-642682
9.684705
6.633906
-1.868501
other
Cs4H4O4
12
19
260.08
mp-766228
11.940978
8.469515
-6.009757
other
P8W4O32
44
19
658.06
mp-583071
3.406144
-0.739197
-2.399471
other
Ca4Al4H20
28
19
265.6
mp-540958
9.428874
0.695225
0.704991
other
Ba4Mn4F20
28
19
397.66
mp-1193068
5.028155
2.661214
-3.344432
other
Sb8C16O4
28
19
583.88
mp-1103715
7.069073
8.524461
-2.505525
other
Cd4O4F4
12
19
170.63
mp-769295
10.225269
3.911895
-4.145401
other
Ag4H32O20
56
19
529.74
mp-1225613
-6.381469
-6.394091
3.732124
other
Eu4In4Ge4
12
19
317.62
mp-768974
1.217826
2.008267
-5.268493
other
Ba4Y12Cl44
60
19
2,455.43
mp-726260
10.433769
6.266797
-5.77507
other
P4N4O12
20
19
331.26
mp-1196282
9.043736
1.423055
-0.31338
other
Cs8H16F24
48
19
748.04
mp-675215
12.775852
6.72173
-0.479264
other
Mg8Si4O16
28
19
305.9
mp-26226
14.200333
8.268817
-6.715863
other
V4P12O36
52
19
641.15
mp-1188652
-4.377276
-3.992215
-3.94387
other
Tm4Ag4Se8
16
19
386.41
mp-3974
13.244457
4.755664
-1.39556
other
Ba60B48O132
240
19
3,824.23
mp-1211678
8.821468
0.881653
1.448622
other
K4Be4F12
20
19
289.14
mp-1199524
7.589643
5.021803
-5.566256
other
Mn4C8O24
36
19
443.44
mp-769070
1.224539
2.016242
-5.268531
other
Ba4Y16Cl56
76
19
3,057.83
mp-1199130
7.080591
6.472064
-3.886169
other
Se8N4O24
36
19
774.9
mp-1208985
7.709558
6.753138
-3.970073
other
Sm4Se8O32
44
19
762.79
mp-560611
-3.331672
-2.333783
-5.873163
other
Ho4Cu4S8
16
19
330.76
mp-1202823
-5.674496
-5.616786
0.570193
other
Zn72In16Sb48
136
19
3,311.07
mp-1182262
6.143967
5.612695
-4.114164
other
Cd8Cl16O32
56
19
1,388.77
mp-1199851
7.203923
4.845259
-5.381763
other
Er4C12O32
48
19
815.16
mp-1211254
7.970171
4.891287
-6.288192
other
La4C4O16
24
19
338.54
mp-760762
8.749581
2.074272
0.435569
other
Nb4O4F12
20
19
267.89
mp-1191329
8.145999
4.95597
-6.619019
other
Tm4C4O16
24
19
294.53
mp-26600
11.003945
8.649385
-5.939643
other
Mo4P8O32
44
19
662.5
mp-754993
8.841394
7.105778
-3.805627
other
Sb4Se4O20
28
19
482.85
mp-1179638
4.621613
2.476732
-3.097448
other
Sb8C16O4
28
19
797.34
mp-572510
8.577175
8.649417
0.058988
other
K48Ag16O32
96
19
2,184.63
mp-1120789
-3.630831
-1.613503
-5.460851
other
K24Sn8S28
60
19
1,912.15
mp-1207491
8.033865
6.919001
-4.828589
other
Zn8S4O24
36
19
450.13
mp-29991
0.990755
2.166633
-4.716613
other
Bi16Te32Cl56
104
19
3,545.91
mp-17350
9.994567
9.307131
0.727604
other
La8Te4O24
36
19
542.18
mp-28476
-4.585714
-3.217089
-3.621219
other
Sr16Bi16Se48
80
19
2,327.16
mp-13956
-4.203589
-2.433664
-3.635761
other
Ag16P8Se24
48
19
1,108.88
mp-625823
11.348349
3.965139
-3.813783
other
Be4H8O8
20
19
145.14
mp-985293
11.794299
4.126757
-3.91543
other
Al4H12O12
28
19
189.09
mp-558879
8.422011
2.379645
-0.962887
other
Os8O8F32
48
19
747.76
mp-1105973
-4.202953
-3.921971
-3.816974
other
Sc4Ag4Se8
16
19
358.16
mp-983589
11.297986
7.737743
-2.254107
other
Ag8Ge4O12
24
19
343.46
mp-1208219
-1.171583
2.975718
-3.040208
other
Tl12Sn4I20
36
19
1,485.01
mp-774228
7.482459
6.527414
-3.106328
other
Co4I8O24
36
19
539.48
mp-1193711
1.420179
2.739322
-6.031182
other
Cs8Hg4Cl16
28
19
1,035.98
mp-1194215
7.622639
7.493028
-3.954832
other
Cu4Se4O20
28
19
418.78
mp-625251
10.471314
6.373384
-3.987555
other
Fe4H4O8
16
19
144.63
mp-1202225
7.786206
6.186333
-4.970818
other
Mg8S8O48
64
19
1,060.25
mp-732336
6.908653
4.121176
-4.967251
other
Ba4C8O16
28
19
508.69
mp-26402
11.256417
8.219017
-6.305766
other
Mo4P16O52
72
19
1,031.52
mp-1102974
7.167976
9.301037
-2.18794
other
Hg4O4F4
12
19
180.02
mp-652282
11.022521
11.201818
-2.895762
other
P4W24O80
108
19
1,546.4
mp-1209344
2.878382
2.267216
1.712344
other
Pr4Si12N20
36
19
421.95
mp-1197786
4.271976
2.145958
-2.90701
other
Rb8C8N16
32
19
675.25
mp-1245792
3.819403
2.315946
-2.88206
other
Cs8C8N8
24
19
762.03
mp-16061
-3.229313
-1.616519
-5.363858
other
Sr24Sb24S68
116
19
3,058.14
mp-1199941
6.391453
0.352213
-3.42008
other
B40H56S4
100
19
1,196.03
mp-753289
9.741898
2.168817
0.40252
other
Li4V4F20
28
19
405.96
mp-772900
9.993448
9.200463
0.554477
other
Sm8Te4O24
36
19
501.21
mp-558521
10.028301
6.231088
-4.186602
other
B8Se8O28
44
19
541.08
mp-778612
8.724447
9.419568
-0.099898
other
Na48Cu16O32
96
19
1,432.53