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-30113
1.808379
2.676996
-4.463063
other
Zr4Se16Cl24
44
56
1,292.05
mp-759840
10.267313
7.892456
-6.717874
other
Ni4P12O36
52
56
658.19
mp-680207
-6.560151
1.242062
3.929922
other
Gd16Fe56B56
128
56
1,323.73
mp-1181012
-3.182607
0.882336
-3.926807
other
Li16Re24S44
84
56
1,593.63
mp-778103
13.769249
4.296566
-2.376666
other
Cd8B16O32
56
56
590.88
mp-669528
11.331386
8.760411
1.151901
other
Na8U4O16
28
56
432.48
mp-557190
11.543335
7.888906
-7.665695
other
Mn4P12O36
52
56
697.41
mp-24834
8.572743
3.206372
-4.653601
other
H32N16O24
72
56
650.58
mp-1202711
-3.39086
-1.578792
-5.549574
other
Ba4Sn8S20
32
56
837.08
mp-29100
9.119497
7.109256
-3.709908
other
Fe16Se16O56
88
56
1,223.87
mp-8056
13.751146
4.229213
-2.158436
other
Ca8B16O32
56
56
580.89
mp-777893
10.012807
2.799912
1.972926
other
Li8V8F24
40
56
471.77
mp-1202637
7.048874
5.41532
-4.681418
other
Nd8C12O68
88
56
1,436.8
mp-1194203
9.341418
9.154363
1.69005
other
Sr8Sn4O16
28
56
417.76
mp-1185821
3.184608
-0.770001
-2.11271
other
Mg16Ni8H32
56
56
538.68
mp-1196063
9.543556
6.857172
-3.757993
other
Ga16Se16O56
88
56
1,117.84
mp-650968
-6.434257
1.308727
3.891776
other
Nd20Fe72B72
164
56
1,734.3
mp-696500
-1.402973
1.577501
-2.126701
other
Nb24H4I44
72
56
2,553.63
mp-29077
5.879853
8.98436
-1.600151
other
Li8Bi8O24
40
56
473.46
mp-776080
10.327991
1.880055
2.206511
other
Li8Fe8F24
40
56
460.83
mp-777355
10.465141
0.980209
1.674499
other
Li8Mn8F24
40
56
483.01
mp-1199125
9.512232
7.144476
-3.46423
other
In16Se16O56
88
56
1,222.52
mp-1181011
7.042615
5.429831
-4.691479
other
La8C12O68
88
56
1,510.14
mp-679944
-3.173438
0.867387
-3.934681
other
Li16Re24S44
84
56
1,633.38
mp-759708
11.86846
7.692385
-7.486858
other
Fe4P12O36
52
56
697.09
mp-680308
1.874101
2.794098
-4.411729
other
Re4Se16Cl24
44
56
1,319.52
mp-1202245
-7.842369
-5.711966
3.037345
other
Yb24Sn16Pd16
56
57
1,377.08
mp-607853
-8.196115
-6.462658
2.414595
other
Na32In24Au44
100
57
2,249.87
mp-733794
6.632246
6.3056
-3.692911
other
Hg4Cl4O16
24
57
440.3
mp-1196164
-5.422988
-4.234158
0.433479
other
Pr8As16Au8
32
57
711.79
mp-1213977
-7.733491
-4.387067
4.889935
other
Ce12Ga8Rh8
28
57
609.54
mp-1397178
12.743771
10.070058
0.504536
other
Mg4W8O16
28
57
298.91
mp-1189817
-0.377866
0.40413
-0.226444
other
Cs4Na4C8
16
57
391.84
mp-18844
8.490913
14.475721
0.011944
other
Ca4Mn8O16
28
57
305.81
mp-18815
10.739638
12.245154
-3.611231
other
K4V4O12
20
57
313.27
mp-3671
10.526105
11.838617
3.201344
other
Na8Nb8O24
40
57
481.97
mp-27717
8.064216
2.387066
-0.820789
other
As16S16F24
56
57
1,239.32
mp-570885
-6.20198
-3.921937
0.841411
other
La8Co8Sb24
40
57
989.84
mp-1191716
12.252728
6.916901
-2.179698
other
Tb4P4O16
24
57
236.11
mp-727926
6.841083
6.484071
-3.639823
other
Hg4Br4O16
24
57
413.6
mp-1173542
-6.04441
-4.763171
1.033199
other
Sm4V4Sb12
20
57
613.49
mp-17816
10.373086
8.266537
-0.47493
other
Na20As4O20
44
57
652.88
mp-672195
-5.199351
-4.195352
0.502531
other
Ce8Ag8As16
32
57
686.02
mp-1209337
-6.135808
-3.97836
1.103053
other
Pr4V4Sb12
20
57
515.4
mp-1188218
8.059421
1.097229
-4.024726
other
Li4H8N4
16
57
95.45
mp-18233
10.532554
11.48797
-2.136592
other
Na20V4O20
44
57
637.25
mp-27169
10.961454
11.869411
3.077245
other
K4Ta20O52
76
57
1,028.29
mp-776093
11.272965
7.4416
-3.652085
other
Cs4As4O12
20
57
380.4
mp-28155
10.801488
11.709585
2.818954
other
La4Nb20O56
80
57
1,018.17
mp-1201926
-6.267344
-3.893161
0.803719
other
Nd8Fe8Sb24
40
57
949.23
mp-21529
-7.835486
-5.617584
5.840834
other
La12Ga8Ni8
28
57
631.49
mp-10577
1.589535
1.696356
1.521595
other
Sr20Nb4N20
44
57
861.19
mp-1182693
-5.199265
-4.190654
0.502756
other
Ce8Ag8As16
32
57
679.58
mp-1041789
11.397678
12.898351
-0.126548
other
Zn4Cr8O16
28
57
282.95
mp-1189680
2.193109
2.359232
1.273754
other
Na8B4N4
16
57
293.26
mp-3516
10.853293
9.30339
-1.631509
other
U4Te4O20
28
57
423.51
mp-579812
-6.089942
-4.036913
0.892684
other
Ce12Ni12Sb36
60
57
1,443.92
mp-1211064
-7.974748
-3.635762
4.663501
other
Lu12Ge8Rh8
28
57
558.3
mp-568805
-6.17698
-4.110377
0.859738
other
Sm12Ni12Sb36
60
57
1,430.88
mp-1042090
6.121131
12.621845
-1.451816
other
Mg4Ni8O16
28
57
259.14
mp-559319
12.810096
6.186834
-6.401346
other
Zn16P16O56
88
57
1,082.25
mp-1173461
-6.149117
-4.076231
1.17672
other
Sm4V4Sb12
20
57
545.63
mp-1047649
7.054085
10.493996
-0.621154
other
Ca4Cu8O16
28
57
320.07
mp-31304
-2.913842
-0.187123
-2.920874
other
Zr4Te24Cl24
52
57
1,711.17
mp-1041489
9.592913
8.624068
-0.033951
other
Ca4Bi8O16
28
57
449.33
mp-1194691
-7.897121
-3.573162
5.511833
other
Sm12Ge8Ru8
28
57
613.9
mp-1211119
8.574002
6.459318
-6.167241
other
Mn12S8O48
68
57
893.94
mp-582081
1.287384
2.524636
-6.107402
other
Cs24Nd8Cl48
80
57
3,089.4
mp-630714
8.0999
13.460341
-0.87296
other
Mg4Fe8O16
28
57
282.43
mp-1029576
0.860878
2.400458
1.703317
other
Rb8Os8N16
32
57
611.84
mp-29792
13.005122
10.118892
1.999749
other
Ca4Nb8O16
28
57
358.3
mp-1041687
12.957933
10.650484
-0.077832
other
Mg4Mo8O16
28
57
333.95
mp-1202488
-4.507087
-2.476537
-3.482827
other
Cs16Te4Se60
80
57
2,989.16
mp-766324
-1.217086
1.919447
-1.692406
other
Ba4Ca4I16
24
57
1,046.19
mp-650277
-5.331097
-4.032746
5.830222
other
Pr24Si16Ni28
68
57
1,318.63
mp-1208660
-6.02147
-4.34812
0.954337
other
Sm4Cr4Sb12
20
57
494.51
mp-31479
-7.436487
-5.44592
3.763038
other
Ca12Ga8Pt8
28
57
626.88
mp-28859
-3.5746
-1.630296
-5.653464
other
K8Hg4S8
20
57
619.14
mp-1213229
-7.998421
-3.668679
5.028246
other
Dy12Ge8Rh8
28
57
569.4
mp-1196191
8.318681
2.449871
-1.216104
other
B4N4F32
40
57
473.6
mp-504922
11.024646
9.289674
1.285137
other
U4Pb4O16
24
57
366.94
mp-1247440
1.447728
1.839539
1.549209
other
Ca20V4N20
44
57
677.43
mp-1047480
6.983962
9.699191
-1.47301
other
Ca4Ag8O16
28
57
382.94
mp-1041749
12.983603
10.743326
-0.199307
other
Zn4Mo8O16
28
57
339.83
mp-1209589
-6.00919
-4.292044
0.947275
other
Pr4Cr4Sb12
20
57
515.68
mp-1208966
-5.280127
-4.386772
5.819438
other
Sm12Si8Pd8
28
57
606.52
mp-571039
-7.892535
-5.181043
3.910766
other
Ca4Al4Pd4
12
57
250.71
mp-1193872
-7.770595
-3.721926
5.490997
other
Pr12Ge8Ru8
28
57
632.41
mp-1173554
-6.13388
-3.974936
1.183541
other
Pr4V4Sb12
20
57
549.54
mp-1041800
12.82989
10.197772
0.287125
other
Zn4W8O16
28
57
347.38
mp-1208977
-5.571374
-4.138997
6.084261
other
Sm12Si8Rh8
28
57
586.92
mp-1193804
-7.954307
-5.69674
5.944458
other
Pr12Ga8Ni8
28
57
619.39
mp-584429
10.813367
8.085889
-7.147849
other
Co4P12O36
52
57
715.98
mp-1047547
6.952193
9.843071
-1.601638
other
Zn4Ag8O16
28
57
341.17
mp-1199267
-6.293309
-3.836531
0.811994
other
Tb8Fe8Sb24
40
57
914.15
mp-775765
9.273143
1.077433
-0.432533
other
Li4Fe4F20
28
57
401.33
mp-1047543
9.752624
8.70032
-0.052898
other
Mg4Bi8O16
28
57
428.5
mp-1208062
-7.974413
-3.711685
4.817656
other
Tm12Ge8Rh8
28
57
563.5
mp-555899
12.85856
6.340611
-0.830523
other
Li8Si12O28
48
57
595.16
mp-505554
-5.887633
-1.25267
4.883399
other
Sc4Fe8Si8
20
57
260.37