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-541141
1.516988
2.690519
-5.675049
other
K12Ir4Cl24
40
14
1,065.72
mp-28957
12.636359
7.413259
-6.904467
other
Ni4P16O44
64
14
820.19
mp-540808
6.11326
3.952503
-4.0456
other
S16N16O12
44
14
829.95
mp-1190141
-3.592239
-1.30493
-5.500181
other
Na8Te4S12
24
14
616.91
mp-30947
8.499637
10.641452
-0.098579
other
Na12Fe4O12
28
14
375.9
mp-574909
-3.355047
-0.805743
-4.916966
other
K16Nb8S56
80
14
2,244.24
mp-755910
8.767449
15.435471
-1.477082
other
Mn8O12F4
24
14
256.39
mp-558235
8.548703
1.554263
0.790728
other
Ca12Ta12F84
108
14
1,606.98
mp-773141
1.11104
1.728467
-5.229617
other
Ba8La8Cl40
56
14
1,852.67
mp-562099
9.216549
7.233942
-3.494383
other
Cr8Se24O60
92
14
1,553.27
mp-753708
12.850078
10.535147
1.785727
other
Ti4O4F4
12
14
140.63
mp-29892
9.731124
10.185266
-1.038503
other
Li2Sb6O16
24
14
270.85
mp-556051
10.696387
7.925301
-0.414726
other
Rb24Ge12O36
72
14
1,441.89
mp-777292
-0.18235
0.773971
-3.781287
other
Ba12Y8Br48
68
14
2,928.1
mp-1209437
-0.04801
1.093667
-4.054711
other
Rb4Ba8Br20
32
14
1,199.48
mp-613569
8.299918
1.485208
0.915332
other
K24Sb12F60
96
14
1,784.94
mp-757275
10.47891
0.797208
1.587507
other
Li8Mn8F24
40
14
521.22
mp-1199837
-4.775821
-5.188847
0.36861
other
Eu12Si8As16
36
14
906.95
mp-1212606
9.659029
10.833585
-3.114131
other
Gd4W4O20
28
14
433.02
mp-583042
-1.36964
0.449431
0.380032
other
Ce16C16Cl10
42
14
808.88
mp-771888
1.078726
1.616688
-5.17542
other
Sr8La4Cl28
40
14
1,113.99
mp-541244
11.187654
11.897522
-1.699149
other
Ce4V4O16
24
14
312.58
mp-1173416
7.847967
10.883371
0.826642
other
Sr24Ru22O72
118
14
1,525.54
mp-25992
9.693044
7.942605
-6.248322
other
Ni6P8O28
42
14
507.54
mp-1029756
2.142011
2.26214
0.944312
other
K12B4N8
24
14
485.05
mp-768345
13.363266
4.644129
-1.511359
other
Ba8B8O20
36
14
587.44
mp-653579
-2.887187
0.741093
-3.852711
other
Re12S16Cl4
32
14
749.54
mp-29084
1.111934
1.616768
-5.134295
other
Ba8Gd4Cl28
40
14
1,148.71
mp-1182261
9.143988
6.494637
-3.623245
other
Ca4B12O32
48
14
563.9
mp-1182036
9.827471
7.512941
-2.449746
other
Cd20Si8O40
68
14
948.17
mp-1202541
10.604581
9.802411
-1.861586
other
Bi32Mo12O84
128
14
1,985.4
mp-1221523
-4.979205
-2.398361
-3.916251
other
Mn2Zn2Se8
12
14
260.91
mp-776164
10.225686
0.476855
0.205444
other
Li2Fe2F8
12
14
128.98
mp-1101417
8.458688
9.656918
-0.183623
other
Rb12Fe4O12
28
14
596.53
mp-5039
13.035507
5.903676
-6.213336
other
K8P8O24
40
14
641.55
mp-759325
12.617833
7.372979
-6.973232
other
Ni4P16O44
64
14
860.29
mp-560927
10.846114
8.25651
2.450197
other
Y16Al8O36
60
14
833.75
mp-540858
10.696997
7.995363
-4.546293
other
Cu12As8O32
52
14
616.71
mp-28773
-3.730175
-1.51898
-5.736842
other
Na16Ga8S20
44
14
960.72
mp-562726
-3.490589
-1.216407
-5.516216
other
Cs4Ga4S12
20
14
596.63
mp-706477
12.860755
7.272955
-0.637348
other
La8Si8O28
44
14
884.11
mp-1179996
7.46755
8.22833
-3.564664
other
P8Pb4O36
48
14
699.54
mp-755632
10.195962
0.487842
0.140204
other
Li4Fe4F16
24
14
255.72
mp-1209499
9.016376
8.600083
0.185778
other
Rb4Cd4O6
14
14
274
mp-777609
10.109076
0.531504
-0.233363
other
Li4Mn4F20
28
14
373.84
mp-30123
9.162388
7.16694
-3.657973
other
Hg16Se8O40
64
14
980.91
mp-7367
11.479587
7.689786
0.64757
other
Ca8Ga16O32
56
14
771.42
mp-29655
6.702121
0.322512
-3.562835
other
B16H32C8
56
14
599.61
mp-1202859
7.021903
5.047915
-4.940435
other
Co4C8O24
36
14
673.17
mp-628784
1.313051
2.352537
-5.591808
other
K12Ti4Cl24
40
14
1,432.65
mp-759549
10.860492
8.056865
-7.340705
other
Mn2P8O24
34
14
445.3
mp-780618
6.617642
8.964557
-0.80522
other
Na8Bi4O12
24
14
328.83
mp-17637
9.900724
5.390917
-6.479908
other
U4S4O24
32
14
485.97
mp-554705
12.228083
7.593307
-6.929794
other
Ni4P4O14
22
14
225.91
mp-768517
11.598453
7.589271
0.802917
other
Tm8Ge4O20
32
14
416.11
mp-778801
10.294571
0.920337
1.571533
other
Li16Mn8F32
56
14
668.71
mp-1288734
6.5258
11.396851
0.711812
other
Y4Co4O12
20
14
225.36
mp-1202639
-5.009335
-3.77542
5.967366
other
Yb10Co8Si28
46
14
762.77
mp-1182600
6.711271
6.112708
-4.021358
other
Na8S4O56
68
14
1,128.77
mp-850279
-1.183842
2.019151
-1.919612
other
Sr4Ca4I16
24
14
1,103.78
mp-1213378
11.271404
6.180672
-3.533278
other
Cu12B4O20
36
14
373.78
mp-996983
7.919063
10.248621
-1.182685
other
Ag2Au2O4
8
14
115.72
mp-756550
12.004626
7.104236
-4.283618
other
Tm4As4O16
24
14
297.81
mp-1213276
-1.262783
2.270613
-1.958322
other
Cs4Sr8I20
32
14
1,386.1
mp-760830
8.646102
12.818213
-0.438002
other
Li16Fe8O20
44
14
475.76
mp-818273
11.196918
7.723366
-7.097105
other
Ni4P20O56
80
14
1,054.07
mp-775184
9.18541
7.585162
-4.861073
other
Sc8P12O48
68
14
1,043.01
mp-541993
9.200983
8.655621
-4.264682
other
V8Se8O36
52
14
746.05
mp-1103067
-5.401773
-1.330434
-3.475193
other
Fe4P4Se4
12
14
175.6
mp-772085
12.956047
10.694743
2.339086
other
Li2Nb20O36
58
14
733
mp-1201208
10.101336
6.015881
-3.189662
other
Mg2B24O48
74
14
880.88
mp-556423
12.871411
6.152718
-0.653945
other
Na16Si16O40
72
14
978.65
mp-1202720
-3.582631
-1.284812
-5.245005
other
Cs16Te8S24
48
14
1,950.63
mp-4180
12.304745
6.487979
0.067008
other
Ca8Si4O16
28
14
355.32
mp-1221315
-3.347786
-4.69186
0.757895
other
Na8Sr12P16
36
14
895.51
mp-1193420
10.205387
9.080016
-5.368092
other
V4As4O20
28
14
338.27
mp-759111
10.7736
-0.161743
0.225172
other
Li4Mn8F28
40
14
452.71
mp-16671
12.891163
10.374413
0.177201
other
Pr4Mo20O32
56
14
795.14
mp-1359941
10.973574
8.12429
-2.306545
other
Cr4Ge8O24
36
14
475.67
mp-1190079
-5.535565
-2.051347
4.465529
other
Tb4Si8Mo6
18
14
302.99
mp-16861
-4.655601
-5.491898
0.43917
other
Na20Ge4As12
36
14
833.31
mp-690541
9.758572
5.177596
-5.635297
other
Tl8S4O12
24
14
566.02
mp-29297
9.300948
8.426723
-1.287694
other
Cd6Cl4O4
14
14
261.74
mp-754254
11.302441
8.724669
-6.170121
other
P4W2O16
22
14
302.8
mp-1194576
-0.482529
1.186982
-4.50381
other
Rb12Sb8Br36
56
14
2,050.94
mp-753622
14.753581
12.295854
-0.803577
other
V4O4F4
12
14
139.47
mp-676104
9.34048
9.031953
2.652986
other
Tm4Cu2O8
14
14
160.41
mp-1193953
8.501853
2.247289
0.378194
other
U4N4F20
28
14
457.32
mp-754618
10.59225
0.021625
0.326152
other
Li4Mn4F16
24
14
302.98
mp-683992
-7.669707
-5.403392
4.711225
other
Ce28Ge8Pd16
52
14
1,236.92
mp-771321
9.764528
8.28847
-0.184085
other
Cs16Ge4O16
36
14
884.8
mp-756821
9.029708
0.7346
-0.173041
other
Li4Ag4F12
20
14
243.26
mp-1247375
1.352054
2.397294
1.125424
other
Li12Ir4N8
24
14
314.21
mp-27532
-4.363836
-3.186035
-3.968476
other
Si4Pb8Se16
28
14
833.86
mp-1213187
11.520641
10.997078
-3.995651
other
Dy4Mo8O30
42
14
664.56
mp-1205449
1.2615
2.252265
-5.493975
other
K12Ti4Cl24
40
14
1,094.89
mp-1192103
8.400741
8.24197
-3.277658
other
Fe4Si4O16
24
14
363.38
mp-28326
-0.393089
1.232492
-4.243285
other
Li4Ga4Br16
24
14
711.5
mp-1330329
9.803714
0.507752
0.397227
other
Mg4Fe4F20
28
14
354.92
mp-625815
9.084743
1.86221
-4.106874
other
H32N8O4
44
14
494.89