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-1047070
13.69113
8.823603
-4.181118
other
Mg4V4As4O20
32
19
432.63
mp-1195351
8.071817
7.554232
-4.849353
other
K4V8P4O44
60
19
882.76
mp-1225964
-4.259974
-1.555534
-5.482248
other
Cu12Bi8S16Br4
40
19
890.35
mp-16552
13.373802
7.210731
-6.743849
other
Mn16Ag16P48O144
224
19
3,235.12
mp-1194369
8.925538
7.62733
-2.756723
other
Na4Zn4Si4O16
28
19
374.87
mp-572707
3.774175
2.960418
-3.938601
other
Se4S16N12Cl20
52
19
1,337.68
mp-1207444
13.693913
4.59722
-2.254181
other
Zn4Cd4B8O20
36
19
405.9
mp-1216361
13.234844
8.253601
-6.996394
other
V4P8Pb4O32
48
19
636.73
mp-1204588
8.259219
9.289711
-3.723748
other
Cs4Na4Mo4O24
36
19
715.64
mp-1191203
-4.786586
-1.053589
-5.282428
other
Cu4Ni4Sb4S12
24
19
455.95
mp-684509
14.032922
7.064468
-5.709212
other
Li4Sn4P12O36
56
19
762.34
mp-556151
8.413927
1.846639
-4.467427
other
H36C12N12O8
68
19
624.77
mp-6699
13.65626
5.357147
-6.693156
other
Na12Mg12P12O48
84
19
956.64
mp-662919
8.120072
2.286753
-1.15794
other
Sb8Te8Se16F48
80
19
1,846.78
mp-556670
10.918394
4.338194
-4.631138
other
Mn4H24S4O24
56
19
541.01
mp-1340889
12.604368
7.963911
-4.478221
other
Mg4Cr4As4O20
32
19
396.94
mp-1200529
10.148516
7.972308
-4.299612
other
Cu4As4Pb4O20
32
19
459.19
mp-1179412
9.303938
3.730752
-5.004363
other
Sr4H24C8O24
60
19
715.93
mp-24509
7.776091
5.679992
-3.553914
other
Cd4H16Br8O32
60
19
772.22
mp-697666
10.195318
3.241522
-4.729239
other
H24S4N8O16
52
19
419.02
mp-1219550
8.45977
3.48346
-6.316131
other
Sb4H4C8O20
36
19
445.6
mp-1210031
8.676938
1.091691
1.311301
other
Na4Sr4Ga4F24
36
19
535.41
mp-650178
7.75763
3.695826
-3.64773
other
Se40S8O24F8
80
19
1,871.17
mp-559685
10.947159
9.506328
-2.993984
other
V8Cd16Te12O60
96
19
1,415.69
mp-758671
13.762563
7.285165
-7.065514
other
Li4Mn4P12O36
56
19
671.17
mp-1661570
14.823534
7.762137
-5.699337
other
Li4Fe4P4O16
28
19
341.18
mp-1197693
7.223392
6.940617
-4.28966
other
Y4Se8N4O44
60
19
988.75
mp-555568
12.971169
6.240088
-0.694044
other
K8Zn4Si16O40
68
19
997.2
mp-652048
5.58012
3.340297
-4.666223
other
Os8C32Cl8O32
80
19
1,514.24
mp-1195667
-4.596854
-2.968043
-3.55203
other
Cs8Mg4Ge12Se32
56
19
1,893.35
mp-1347026
9.927013
8.029722
-4.879361
other
Mg4Cu4As4O20
32
19
386.11
mp-12185
12.629442
7.283593
-7.069489
other
Li4Cu4P12O36
56
19
605.99
mp-725605
4.494936
2.795489
-3.682327
other
Cd4C12S12N20
48
19
1,067.94
mp-15750
13.418476
6.295198
-6.995502
other
Ta4Ag4P16O52
76
19
1,020.47
mp-753511
13.557289
8.401975
-0.629412
other
Li4Ti4Si4O16
28
19
294.77
mp-16972
-3.310067
-1.752891
-5.640227
other
Cs4Er4Si4S16
28
19
771.27
mp-1182812
10.428068
6.962454
-2.059978
other
Ca8Al16Si16O80
120
19
1,829.35
mp-24625
5.782738
1.900233
-2.918434
other
K8H8C8N16
40
19
602.9
mp-772242
13.892986
8.770826
-6.649153
other
Li4V4P4O20
32
19
404.27
mp-1197463
8.52769
3.427146
-5.616774
other
H8Pb4C8O16
36
19
463.29
mp-1197943
10.62359
12.100801
2.286617
other
Zr4Ti4Cu4O20
32
19
364.86
mp-1195716
-4.629921
-2.977089
-3.816966
other
Cs8Cd4Sn12Se32
56
19
2,143.95
mp-559431
13.876353
8.414212
-6.360711
other
K4V4P4O20
32
19
494.95
mp-653562
6.111564
5.358524
-4.35307
other
Ag12I4N8O24
48
19
825.08
mp-601226
8.513379
3.361961
-5.644614
other
Ba4H8C8O16
36
19
556.8
mp-1192812
-4.745504
-3.147372
-3.475036
other
Cs4Sm4Ge4Se16
28
19
936.61
mp-720572
9.428976
6.157654
-3.946206
other
Rb8H24Se16O48
96
19
1,535.8
mp-1218315
8.620905
11.332008
2.065897
other
Sr4La4Mn8O20
36
19
513
mp-780490
9.970141
7.907864
-6.376119
other
Li4Cr4P8O32
48
19
604.78
mp-1358652
13.679379
8.165972
-3.199752
other
Mg4Ti4As4O20
32
19
426.68
mp-1199444
11.187716
6.811457
-1.574026
other
Rb8Zr4Si12O40
64
19
1,056.98
mp-757388
10.814038
3.297011
-4.482952
other
P4H24N4O16
48
19
466.3
mp-769384
9.230322
1.476477
0.881963
other
Li12Nb4O4F24
44
19
470.93
mp-653569
8.479631
7.689832
-4.493587
other
Al8P8O44F4
64
19
910.96
mp-734771
11.69828
4.531518
-4.932004
other
Pr4P8H28O28
68
19
826.99
mp-1203695
10.593675
10.058071
-3.976198
other
K4Mo16As4O60
84
19
1,320.44
mp-1204780
6.647181
0.323117
-3.555524
other
B40H72C8S4
124
19
1,330.62
mp-555364
8.911526
5.781316
-6.28175
other
K4V4S8O36
52
19
762.1
mp-758074
13.856868
8.714413
-6.874804
other
Li4V4P4O20
32
19
443.82
mp-1355262
13.569237
8.836214
-4.221269
other
V4Zn4As4O20
32
19
427.07
mp-703376
11.536383
4.961774
-5.344101
other
U4P12H28O32
76
19
945.04
mp-1197945
2.7667
3.205591
-4.41405
other
Li8Zn4Cl16O8
36
19
752.93
mp-560668
12.912996
5.766032
-6.400985
other
K8Zn12P16O56
92
19
1,360.61
mp-12159
13.493926
5.225321
-6.635611
other
Na16P8O24F8
56
19
743.72
mp-1210272
13.005913
6.391438
-6.294815
other
Na4P12Pb4O36
56
19
832.2
mp-1224646
8.900657
3.465192
-6.693768
other
Gd4H4C4O16
28
19
303.32
mp-557926
8.10845
2.076595
-0.766239
other
Cd4As8Xe16F80
108
19
2,137.48
mp-695783
10.697482
7.844293
-6.958512
other
Li4Ni4P16O48
72
19
912.38
mp-1195938
11.191401
6.80268
-1.528543
other
K8Zr4Si12O40
64
19
1,024.49
mp-1325009
11.239852
7.612478
-4.589292
other
Ca4Fe4As4O20
32
19
417.59
mp-1210256
12.023769
7.170868
-1.022064
other
Rb12Nb12Ge12O60
96
19
1,686.89
mp-1198481
11.012182
11.113386
-2.826385
other
K4As4W8O36
52
19
814.76
mp-26991
12.860932
7.392896
-7.147726
other
Li4Co4P12O36
56
19
640.94
mp-757618
12.432049
6.725455
-1.426324
other
Li4Fe4Si12O32
52
19
682.57
mp-774946
12.529761
13.09515
-0.929891
other
Li8V12Sn4O32
56
19
631.85
mp-1194326
-3.36163
-1.644927
-5.61902
other
Cs4Tm4Si4S16
28
19
769.2
mp-1211419
1.462256
2.471409
-5.379521
other
K4Zn4H4Cl12
24
19
708.2
mp-1219634
7.806648
9.856211
-3.779957
other
Rb4Cr4O12F4
24
19
453.33
mp-1019889
13.075739
5.746564
-1.0588
other
K4Si8B4O24
40
19
509.55
mp-1661354
12.573
7.636342
-7.447527
other
Li4Co4P4O16
28
19
347.78
mp-1198070
10.188679
10.1982
-2.319556
other
Ni12Te8Mo4O40
64
19
931.4
mp-561349
13.792185
8.260683
-6.361678
other
Rb4V4P4O20
32
19
529.78
mp-1195973
9.906363
5.323324
-4.220796
other
Nd4H20Se8O32
64
19
825.37
mp-638009
-2.461654
-0.562177
-5.413247
other
Rb4P4Pb4S16
28
19
790.98
mp-860888
12.596822
7.405946
-7.090622
other
Li4Ni4P12O36
56
19
664.1
mp-758180
13.045489
6.169239
-0.815102
other
Cs4Si12H4O28
48
19
758.38
mp-690851
8.599501
3.335682
-5.618387
other
Ba4H8C8O16
36
19
483.21
mp-1202400
8.14537
2.545684
-2.130116
other
K4B4C16F48
72
19
908.08
mp-1203534
7.833887
3.74465
-4.687391
other
H12C4N20O16
52
19
609.42
mp-24335
10.096333
5.273149
-4.340108
other
Y4H20Se8O32
64
19
766.55
mp-1195099
11.285869
6.857044
-1.522622
other
K8Si12Sn4O40
64
19
976.33
mp-1199610
7.070699
6.143146
-4.365287
other
Co4S8N20O36
68
19
1,482.34
mp-1193331
-3.316983
-1.701248
-5.702875
other
Cs4Ho4Si4S16
28
19
763.3
mp-1205230
7.801315
0.441374
-4.474602
other
Si8H64C32I32
136
19
2,877.1
mp-1194749
-4.572963
-2.924095
-3.578887
other
Cs8Zn4Ge12Se32
56
19
1,937.49
mp-1223409
6.348679
4.223045
-4.270176
other
K4S4N4O4
16
19
366.49
mp-1180369
13.008403
6.70839
-1.812651
other
Na12Si8P4O32
56
19
959.46
mp-553943
8.976378
0.889618
1.269664
other
Ba16Al12Cu8F84
120
19
1,697.21
mp-759911
12.875928
12.050223
0.080287
other
Li20Ti4V12O32
68
19
638.95
mp-557974
13.606487
4.7002
-2.005219
other
Ba4Zn8B8O24
44
19
580.79