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-6772
12.889472
5.696552
-6.259189
other
Ca4Be8P8O32
52
14
588.41
mp-703343
10.849132
3.799201
-4.165796
other
Li4Sn2H20O16
42
14
336.32
mp-1201392
11.853914
9.137055
-7.053531
other
V8Ag4P8O40
60
14
752.97
mp-646579
13.250674
8.767899
-6.144798
other
V4Ni2P4O20
30
14
452.84
mp-18555
11.124073
4.076087
-7.40393
other
K4Er4S8O32
48
14
658.83
mp-1197341
7.833756
0.12307
-4.539597
other
Si12As4H108C36
160
14
2,087.73
mp-1210845
11.732591
7.373129
-0.676312
other
Na12Ga12Ge12O48
84
14
1,199.31
mp-1259854
11.671986
7.69412
-7.394104
other
Al8Fe12P12O60
92
14
1,206.51
mp-557874
12.91867
6.416495
-6.062158
other
K4Ag4P8O24
40
14
625.54
mp-1194895
10.467736
9.85656
-2.015399
other
Th8Te12Mo4O52
76
14
1,177.15
mp-1196376
8.19096
7.666268
-4.771037
other
Zn4Cu8P4O32
48
14
620.46
mp-1196363
7.418902
7.436379
-4.297182
other
Zn2Fe4As4O28
38
14
548.91
mp-695976
11.865729
4.082864
-3.568383
other
Ni4B24H64O72
164
14
1,402.07
mp-1198400
13.353349
4.532174
-2.337486
other
Nd4B20I4O44
72
14
1,022.14
mp-1196968
10.049363
2.405133
-2.738864
other
B4H20O8F16
48
14
460.66
mp-752639
10.176588
12.605071
-4.306253
other
Li4V4O8F8
24
14
276.2
mp-555526
6.257284
5.01117
-4.517676
other
Rb4Ag4N8O24
40
14
635.07
mp-1202865
14.655413
8.554049
-6.594497
other
Li12V8P12O48
80
14
938.29
mp-1195400
11.133178
10.617015
-2.145588
other
Th4Te4W4O28
40
14
557
mp-541860
11.671719
5.99358
-4.772386
other
Ti4As8H16O36
64
14
747.09
mp-1048389
13.83751
7.190455
-6.79939
other
Ca4Mn4P8O28
44
14
564.52
mp-24332
8.234303
3.284386
-4.771948
other
H16C8N16O16
56
14
570.71
mp-16699
13.822249
4.767879
-2.118821
other
Li24Gd4B12O36
76
14
790.34
mp-765631
12.381951
6.850384
-1.482426
other
Li4Fe4Si12O32
52
14
679.1
mp-17897
13.582287
5.255654
-6.665214
other
Rb4Y4P8O28
44
14
741.82
mp-756421
15.303151
6.709438
-2.22328
other
Li4Fe4B4O12
24
14
274.53
mp-558427
10.780313
3.99881
-7.403627
other
Na12Mg2S8O32
54
14
701.67
mp-1374028
12.687877
10.95907
-0.661263
other
Zn4Mo2W2O12
20
14
228.62
mp-758561
11.307117
7.736732
-7.47737
other
Li4Fe4P8O28
44
14
545.49
mp-554135
1.771949
2.762501
-4.348973
other
Te8Mo4Cl16O4
32
14
964.15
mp-1195677
10.522061
5.095368
-6.591832
other
Th4Te4S4O28
40
14
579.23
mp-1199784
6.767852
4.788185
-4.847404
other
Zr4C12N12O48
76
14
1,298.42
mp-1289222
7.677779
12.399516
-0.874098
other
Mg4Fe2Ir2O12
20
14
207.4
mp-560148
11.331276
11.185858
-2.201849
other
Rb4Dy4W8O32
48
14
764.66
mp-1199924
10.469839
7.309664
-6.277063
other
Rb4Ti6P8O36
54
14
779.5
mp-705301
10.223442
8.042018
-6.793368
other
Li4Co4P8O28
44
14
573.11
mp-542974
-2.50989
-0.590604
-5.344257
other
K12Nd4P8S32
56
14
1,541.4
mp-1369951
11.855889
10.720298
0.189297
other
Ca4Ir2W2O12
20
14
243.4
mp-1211696
8.018827
2.533577
-2.669734
other
K4C4O4F12
24
14
359.25
mp-1303805
9.956425
14.060843
-0.498101
other
Li8Cr6Co2O16
32
14
294.37
mp-1203995
8.150735
1.033263
-4.452135
other
H80C32S8N16
136
14
1,559.7
mp-744182
8.848036
7.01675
-3.667813
other
Cr4H4Se12O32
52
14
846.55
mp-653823
1.955797
2.698043
-4.593415
other
Re4Te8Cl44O2
58
14
2,111.71
mp-1181612
1.786678
2.528025
-3.73086
other
Hg4C4I12N4
24
14
1,272
mp-1043070
11.879169
10.056146
-2.287843
other
Zn4As8W4O28
44
14
676.83
mp-541415
10.264813
4.375168
-5.463986
other
K4H20S8O36
68
14
777.33
mp-556766
11.582018
11.317382
-4.034088
other
Er4Mo4O16F4
28
14
397.42
mp-776412
11.260862
7.988291
-7.923677
other
Li4Mn4P8O28
44
14
543.21
mp-757675
14.346964
7.564269
-6.992185
other
Li16Mn16P16O64
112
14
1,305.45
mp-1188923
9.910841
9.488126
-1.400498
other
Co2Te2Pb4O12
20
14
267.01
mp-1043564
12.862656
7.590576
-6.809298
other
Mg2Co6P8O28
44
14
463.77
mp-765277
14.134671
7.296762
-5.252194
other
Li12Sn12P12O48
84
14
1,102.01
mp-761862
13.011654
4.928514
-2.925995
other
Li4B8Sb4O24
40
14
497.42
mp-1201630
11.552602
7.283652
-3.965552
other
Ti4As8Pb8O36
56
14
792.68
mp-728267
7.776781
6.758963
-4.79405
other
Ce4S16N16O72
108
14
1,903.52
mp-24367
10.826361
4.013636
-4.207887
other
Na8As4H60O44
116
14
1,110.32
mp-1211115
7.636073
9.833223
-0.778891
other
Li2Ca4Te2O12
20
14
249.34
mp-14931
12.563263
6.630841
-6.748987
other
Sr4Cu4P8O28
44
14
568.72
mp-14555
13.92991
4.231065
-2.269563
other
La4Cd4B20O40
68
14
688.75
mp-555958
13.124949
6.220209
-6.677283
other
Ba8Li12P28O84
132
14
1,816.31
mp-568817
7.801978
0.645823
-4.409397
other
H36C16Se8N4
64
14
810.66
mp-1188397
8.525018
10.43608
1.766068
other
Pr4Mg2Ir2O12
20
14
251.19
mp-560050
12.776791
8.567881
-6.155694
other
Sr2Mo4P8O32
46
14
613.81
mp-722246
10.290646
2.468502
-2.903945
other
Si2H20O8F12
42
14
363.19
mp-735042
12.034462
6.9166
-6.706896
other
Fe4P12H8O40
64
14
777.72
mp-584122
12.715349
7.557554
-7.250537
other
Li4Co6P8O28
46
14
523.65
mp-11904
7.516279
10.410137
1.23522
other
Li2Sm4Ir2O12
20
14
235.45
mp-26715
10.74684
8.129707
-7.393791
other
Li4Co4P8O28
44
14
440.61
mp-559160
9.26375
6.823891
-3.759262
other
Na4Sm4Se8O28
44
14
605.1
mp-26493
13.332647
7.84858
-7.427091
other
Li4Cr4P8O28
44
14
500.4
mp-1198079
12.20469
6.857679
-5.758963
other
V8P24Pb32O112
176
14
2,592.54
mp-556688
11.007865
12.032561
-3.405723
other
Ba8V8Zn4O32
52
14
832.15
mp-758076
11.245626
8.061809
-7.996989
other
Li4Mn4P8O28
44
14
551.07
mp-1210133
13.225838
5.974166
-6.928769
other
Na4Ga4P8O28
44
14
518.08
mp-642795
8.083467
2.285156
-1.692615
original
P4H4S4F8
20
14
363.71
mp-17021
13.293024
7.447676
-6.884065
other
Tl4Cr4P8O28
44
14
616.99
mp-770288
14.684332
5.846188
-2.228862
other
Li12B8Sb4O24
48
14
516.81
mp-1201095
4.916536
2.206455
-3.593534
other
Fe2H8C12N12
34
14
463.45
mp-1044602
12.066801
7.16206
-6.915671
other
Zn4Cu4P8O28
44
14
510.33
mp-651726
12.259437
7.41289
-6.864039
other
Ni6P8Pb2O28
44
14
515.51
mp-1200863
9.058957
7.809077
-5.417683
other
Fe4P8N4O28
44
14
635.96
mp-1214081
10.195103
9.896118
3.470527
other
Ca4Sc2Ta2O12
20
14
250.77
mp-540231
14.563878
7.539524
-6.278019
other
Li8Fe4P8O28
48
14
551.33
mp-561210
10.354343
11.938435
-3.644095
other
U4V8Pb4O36
52
14
836.97
mp-1198188
11.099599
4.539607
-4.920557
other
Li8P4H16O24
52
14
524.6
mp-708993
10.868808
3.859335
-4.261677
other
Na8P4H60O44
116
14
1,085.77
mp-1047107
12.012932
7.346921
-6.871762
other
Ca2Cu6P8O28
44
14
511.1
mp-541954
13.005435
6.00914
-5.145547
other
Fe8P8H16O36
68
14
697.22
mp-1196991
10.936406
4.052177
-6.650055
other
Dy8H8S8O40
64
14
731.37
mp-557307
9.972342
10.671091
3.359364
other
Nd20Ti16Fe4O68
108
14
1,360.78
mp-16164
12.393476
6.547723
0.134135
other
Dy12Si12O40F4
68
14
865.48
mp-772520
13.699149
7.927445
-7.177478
other
Li14Cr14P16O68
112
14
1,484.68
mp-1213586
7.294875
6.867486
-4.425873
other
Na8Zn4P4O48
64
14
1,061.93
mp-1194388
10.21267
2.044125
-0.260257
other
V4Ag4O4F16
28
14
413.21
mp-1195195
-4.144666
-2.571726
-3.238706
other
Ce4Tl4P8Se24
40
14
1,112.1
mp-733650
9.89019
5.146054
-4.20586
other
Cu2H12Se4O16
34
14
372.74
mp-703312
11.705859
4.491038
-4.802886
other
Rb4P4H16O20
44
14
533.85
mp-1211461
8.500381
1.07684
1.813543
other
K4Li4Dy4F20
32
14
430.71
mp-1211652
8.145515
6.382106
-5.279237
other
K4Rb4S8O32
48
14
874.06
mp-1195701
-4.137465
-2.528385
-3.645401
other
Tl8Ag8P8Se24
48
14
1,274