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-1214526
9.905276
8.430326
2.695089
other
Ba12Nd4Al8O30
54
13
888.26
mp-772556
13.141925
7.428003
-7.462287
other
Li14Cr4P14O48
80
13
919.19
mp-1214555
9.68437
8.403689
2.085492
other
Ba12Nd4Ga8O30
54
13
919.81
mp-18739
7.078831
11.912133
1.83533
other
Ba2Y2Mn4O12
20
13
243.6
mp-555980
13.023935
6.295331
-6.578191
other
Ba4Zn6P20O60
90
13
1,285.7
mp-1041783
11.741859
11.216587
-1.750149
other
Y2Ni2W4O16
24
13
311.2
mp-18065
8.833521
1.051346
1.604903
other
Ba4Ca4Al4F28
40
13
566.71
mp-1101601
12.186764
9.309871
-7.552127
other
Li4V8P12O48
72
13
885.92
mp-24333
10.171046
3.130754
-3.714552
other
U2H24Cl6O12
44
13
526.14
mp-1041633
10.921209
11.824701
2.820478
other
Ca6Ta12Cu6O42
66
13
1,061.61
mp-1205256
6.21257
5.097999
-4.551732
other
Na16Nd8N40O128
192
13
2,625.05
mp-1302578
10.004999
14.085918
0.184865
other
Li8Mn6Nb2O16
32
13
329.26
mp-556596
12.131488
5.050573
-5.325787
other
Al2P6H12O24
44
13
474.75
mp-1041813
12.664207
11.216567
-1.105558
other
Al2Mo2W4O16
24
13
274.2
mp-1291754
6.750192
14.214464
-1.810924
other
Li4Mn2Co6O16
28
13
288.56
mp-1042310
12.68209
11.136838
-0.774923
other
Al2Re2W4O16
24
13
270.56
mp-1214530
9.820648
8.586008
2.880224
other
Ba12Lu4Al8O30
54
13
856.55
mp-1211853
8.099627
3.953171
-6.14193
other
K2Cr2C8O16
28
13
593.19
mp-1210165
10.527594
11.429171
-2.470926
other
Na2Ga2W4O16
24
13
293.4
mp-1212730
10.415236
10.908955
-3.608485
other
Fe2Ag2Mo4O16
24
13
298.99
mp-23569
7.947371
2.305564
-1.355601
other
As2Se12I2F12
28
13
691.03
mp-1202477
11.111537
5.712667
-2.930679
other
Sm8B36Cl6O76
126
13
1,581.02
mp-1042328
12.644832
10.994153
-0.772845
other
Y2Mo2W4O16
24
13
311.76
mp-1194632
7.8921
3.207609
-4.796475
other
Zn4H20N24O10
58
13
622.34
mp-729562
7.413101
6.10358
-3.733251
other
Ca2P2I2O16
22
13
367.14
mp-1190882
10.676896
11.441918
-2.17686
other
Li2Lu2W4O16
24
13
296.18
mp-1211147
10.903518
10.985672
-3.604181
other
Li2Pr2Mo4O16
24
13
319.37
mp-1041880
12.015164
10.919239
-1.724631
other
Ca6Cu6W12O42
66
13
1,077.02
mp-1213343
10.091137
10.672701
-3.882994
other
Cs2Yb2Mo4O16
24
13
413.18
mp-760272
10.276267
12.724055
-4.408376
other
Li2V2O4F4
12
13
138.14
mp-1041805
12.141818
11.774896
-1.55466
other
Al2Cr2W4O16
24
13
259.61
mp-757327
14.234553
7.297335
-6.062088
other
Li14Ti4P14O48
80
13
921.73
mp-25837
13.408086
7.8885
-7.49358
other
Li12Cr8P12O48
80
13
895.16
mp-1041685
11.599276
11.683887
-2.105153
other
Al2Co2W4O16
24
13
261.87
mp-1211820
7.266284
2.653205
-3.3296
other
K4C16O8F8
36
13
517.74
mp-1208009
10.472346
10.692863
-3.708207
other
U2Cd2Mo8O32
44
13
646.46
mp-6462
-2.589113
-0.269962
-5.346256
other
V2Ag2P4S12
20
13
461.73
mp-1191085
10.721116
11.361669
-2.195557
other
Li2Y2W4O16
24
13
306.14
mp-1177475
11.433867
7.6596
-7.617157
other
Li40Mn10P20O90
160
13
1,727.02
mp-726320
10.352901
7.228937
-6.158214
other
K4Zr4P8O32
48
13
790.95
mp-1207801
13.09423
6.047485
-4.9677
other
Zn8P4H6O20
38
13
500.96
mp-1214541
9.873375
8.501395
2.805033
other
Ba12Dy4Al8O30
54
13
856.32
mp-572332
8.305429
1.509341
0.198177
other
Cs4Sb4O2F20
30
13
582.49
mp-1212087
7.898613
4.281641
-6.130471
other
Li4Gd4C16O40
64
13
869.66
mp-1213347
11.442069
11.080483
-3.843828
other
Cs2Ho2Mo4O16
24
13
408.93
mp-1213282
8.404653
6.064606
-5.698785
other
Cs2Yb2S4O16
24
13
368.61
mp-1211000
10.834015
11.342226
-2.190659
other
Li2Sm2W4O16
24
13
312.24
mp-1177523
14.718554
7.822694
-4.611607
other
Li12Ti8P12O48
80
13
937.41
mp-1201609
9.456951
2.556535
-4.680435
other
H40C4N8O20
72
13
573.67
mp-1042285
12.414289
11.342395
-1.125445
other
Al2Sn2W4O16
24
13
273.98
mp-6442
13.131143
6.166342
-0.692322
other
Li2Al2Si8O20
32
13
444.25
mp-606338
1.541576
1.886267
1.38455
other
Ba4Ca16Co8N16
44
130
849.57
mp-1043607
13.047342
6.518501
-1.010515
other
Ca4Co4Si16O40
64
130
854.23
mp-1043543
13.06292
6.593769
-1.116395
other
Zn4Si16Ni4O40
64
130
789.13
mp-1043503
13.061519
6.64307
-1.01067
other
Mg4Co4Si16O40
64
130
798.27
mp-1043438
13.897795
7.498014
-0.694499
other
Ca4Ti4Si16O40
64
130
870.08
mp-1202522
8.11967
2.025564
-0.647618
other
Ca8As16Xe36F168
228
130
4,869.84
mp-6127
12.954396
6.337826
-0.960794
other
Ba4Cu4Si16O40
64
130
936.58
mp-1043634
13.396237
6.544962
-0.82434
other
Ca4Mn4Si16O40
64
130
875.54
mp-1043408
13.983793
7.469535
-0.740664
other
Ti4Zn4Si16O40
64
130
871.5
mp-19441
13.57835
6.616217
-0.841157
other
Ca4Cr4Si16O40
64
130
861.35
mp-757120
12.475715
6.766016
-1.379375
other
Li4Fe4Si16O40
64
130
810.33
mp-1043548
13.532146
6.904565
-0.882166
other
Mg4Fe4Si16O40
64
130
801.55
mp-569603
1.620353
1.832067
1.1587
other
Ba4Ca16Cu8N16
44
130
858.63
mp-1237032
9.155494
1.76269
-3.908873
other
Ce4H48N20F16
88
130
991.38
mp-1204317
9.244666
1.591947
-3.826043
other
Ce4H48N20F16
88
130
1,018.01
mp-1043411
13.521729
6.825049
-0.770046
other
Ca4Si16Sn4O40
64
130
913.31
mp-1043518
13.825966
7.443004
-0.858701
other
V4Zn4Si16O40
64
130
811.7
mp-1043526
13.581509
6.757705
-0.83777
other
Mg4Cr4Si16O40
64
130
804.77
mp-561448
11.573347
7.316832
-4.108429
other
Na16Ce4As16O56
92
130
1,260.35
mp-1043537
13.512408
7.017564
-0.94254
other
Zn4Fe4Si16O40
64
130
768.38
mp-1203444
-2.507705
-0.532725
-5.337101
other
K24Bi24P32S128
208
130
6,119.89
mp-18882
13.656625
7.945393
-6.809192
other
V4Si4P8O36
52
130
668.4
mp-560785
-2.898073
-2.250537
-5.818392
other
K8Y16Sn8S44
76
130
2,144.48
mp-849757
12.416999
6.859366
-1.396342
other
Li4Mn4Si16O40
64
130
798.13
mp-19165
13.541981
6.796679
-0.846223
other
Ba4Fe4Si16O40
64
130
915.77
mp-1043702
13.944248
7.736061
-0.760393
other
Ca4Si16W4O40
64
130
896.77
mp-504754
12.063235
5.904382
-5.633834
other
V4P8H16O36
64
130
663.08
mp-559298
10.38704
8.767231
1.74717
other
La20Sb16O48F12
96
130
1,756.65
mp-1177164
12.596451
8.200583
-5.028776
other
Li16V4As8O36
64
130
782.64
mp-605642
13.301245
4.361315
-2.554442
other
K16B48H32O96
192
130
2,228.92
mp-1043605
13.946999
7.352475
-0.780711
other
Ca4V4Si16O40
64
130
864.33
mp-505074
11.723149
6.192705
-4.854074
other
V4As8H16O36
64
130
716.53
mp-1043375
13.341383
6.656512
-0.783785
other
Mg4Si16Sn4O40
64
130
879.15
mp-14862
12.976383
6.36229
-0.922938
other
Sr4Cu4Si16O40
64
130
883.01
mp-863382
14.118599
7.315506
-6.036936
other
Li16Nb4P16O56
92
130
951.12
mp-1043523
13.436293
6.807007
-0.868736
other
Mn4Zn4Si16O40
64
130
813.11
mp-1043369
12.806009
6.565792
-1.122362
other
Zn4Cu4Si16O40
64
130
787.61
mp-1196825
9.408606
1.754005
-3.919385
other
Zr4H48N20F16
88
130
910.93
mp-669410
-4.717316
-2.954106
-3.789285
other
K8Mn4Sn8Se24
44
130
1,416.88
mp-1043306
12.842582
6.518078
-1.015892
other
Mg4Cu4Si16O40
64
130
778.7
mp-1195072
-4.677658
-3.039241
-3.835701
other
K8Zn4Sn8Se24
44
130
1,404.56
mp-1200586
9.22104
1.609412
-3.889537
other
U4H48N20F16
88
130
1,033.15
mp-1043541
12.892831
6.608744
-1.148471
other
Mg4Si16Ni4O40
64
130
783.61
mp-557607
12.906772
8.211532
-6.44809
other
Al4Mo4P8O36
52
130
716.75
mp-777297
4.662954
2.084222
-2.480051
other
K20H4C8N16
48
130
926.03
mp-735567
11.672724
6.137591
-4.809762
other
V4As8H16O36
64
130
736.28
mp-1019804
10.310906
4.588419
-6.556191
other
K4B4S8O32
48
130
642.05
mp-567828
-1.114785
1.615002
-1.778995
other
K16La24Os4I56
100
130
4,533.32
mp-1043509
13.02148
6.668283
-1.106974
other
Zn4Co4Si16O40
64
130
797.52