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-1223173
8.152302
1.1335
-4.314708
other
Li12H16I4N8
40
36
540.78
mp-560459
13.180194
5.439426
-6.300791
other
Rb6Al4P6O24
40
36
683.03
mp-561549
12.95559
6.242229
-0.674129
other
K4Be4Si12O30
50
36
663.65
mp-1218040
9.857213
8.483562
3.321433
other
Sr2Nd2Sc2O8
14
36
207.46
mp-1219046
-1.277633
2.553326
-3.201597
other
Sn4Sb2S4I6
16
36
564.38
mp-780154
9.102448
12.498914
0.044362
other
Li16Fe4O12F4
36
36
376.02
mp-1218207
9.718838
8.477365
3.266785
other
Sr2La2Sc2O8
14
36
211.32
mp-18722
7.006516
10.015625
-1.283846
other
Cs8Li4Mn4O16
32
36
626.17
mp-570277
-5.822179
-3.739173
-1.480821
other
Tb16Cr2Te26Cl2
46
36
1,331.04
mp-1102279
5.567553
4.745224
-3.897654
other
Hg2Br6N2O2
12
36
341.49
mp-1120807
11.244815
11.437753
1.885768
other
Ti4Zn4Sn2O14
24
36
372.93
mp-1223594
10.614108
11.28613
3.151002
other
K2Ca4Nb6O20
32
36
465.63
mp-1210214
10.281134
10.376533
1.648751
other
Na2Nb4Bi4O18
28
36
387.62
mp-672248
2.196247
2.586016
-4.448404
other
Ta2As2P2Cl26
32
36
1,027.75
mp-783903
5.837863
12.357901
-1.724661
other
Li4Fe6Ni2O16
28
36
287.53
mp-753101
9.023326
13.022147
-0.084358
other
Li16Mn4O12F4
36
36
376.23
mp-1105202
-4.566077
-3.343315
-3.759282
other
Ba4In2Bi2Se10
18
36
572.01
mp-707395
9.709127
5.736427
-4.221488
other
Na4H8Se4O16
32
36
387.4
mp-1096902
10.257942
11.954989
2.411782
other
Ba2Nb4Fe4O18
28
36
417.37
mp-1220227
-2.405111
-2.647238
-5.47306
other
Nd8S8Cl4O2
22
36
510.26
mp-1228412
7.491618
10.467567
1.170876
other
Ba8Al2Ir4O20
34
36
519.4
mp-1227141
9.871802
10.729186
2.229593
other
Ca2Nd2Cr2O8
14
36
182.85
mp-642350
13.290899
6.007414
-6.44541
other
K2La2P8O24
36
36
650.07
mp-772596
5.928061
13.012531
-1.646889
other
Li4Fe2Ni6O16
28
36
261.1
mp-720789
8.623223
4.048761
-4.508002
other
U2H24N4O28
58
36
618.59
mp-865143
-5.420155
-5.773387
0.809994
other
Ba2Yb2Cd2Sb4
10
36
336.71
mp-1195000
13.751045
4.437983
-2.141772
other
Cs6Zn12B18O42
78
36
1,187.51
mp-772578
8.546714
15.340208
-0.642542
other
Li4Mn6Sn2O16
28
36
303.73
mp-1190093
-4.589375
-3.47482
-3.785409
other
Ba4Nd2In2Se10
18
36
567.78
mp-1227145
9.80654
10.72991
2.223703
other
Ca2Pr2Cr2O8
14
36
183.64
mp-556697
10.781482
10.192206
1.798118
other
Ca2Ta4Bi4O18
28
36
387
mp-1663998
8.344612
14.841084
-0.998938
other
Li4Mn6Fe2O16
28
36
285.64
mp-1188896
-4.653153
-3.455405
-3.827762
other
Ba4Yb2In2Se10
18
36
557.6
mp-1217782
9.939036
8.50605
3.278707
other
Sr2Sm2Sc2O8
14
36
206.08
mp-10410
-3.261423
-1.891816
-5.449343
other
Ba8Sm4Cd6S20
38
36
1,044.78
mp-569209
2.369387
2.644767
-4.505558
other
Sb2As2P2Cl26
32
36
1,066.43
mp-10409
-4.676604
-3.418782
-3.796916
other
Ba8Nd4Cd6Se20
38
36
1,185.66
mp-1217847
10.52915
10.192683
1.522447
other
Sr2Ti8Bi8O30
48
36
629.53
mp-1224006
-3.373074
-2.083317
-5.898402
other
Ho2Cu2Pb2S6
12
36
265.04
mp-1106127
-4.567927
-3.488167
-3.792821
original
Ba4Dy2In2Se10
18
36
557.84
mp-555965
9.932578
9.732605
0.036369
other
Li12Zn6Sn18O48
84
36
949.5
mp-1227248
10.980671
7.763245
2.998399
other
Ce8Fe4Se8O8
28
36
563.01
mp-554291
10.820161
9.514659
-0.804676
other
Cu8Sb16Cl8O24
56
36
1,006.45
mp-569207
2.048018
2.990485
-4.800952
other
K4Os2N2Cl10
18
36
632.24
mp-781772
8.888331
14.568076
-1.217162
other
Li4Mn6V2O16
28
36
289.54
mp-1222053
-6.695451
-0.207975
3.466669
other
Mn10Fe10Si4C4
28
36
290.45
mp-766134
8.635612
4.053131
-4.511535
other
U2H24N4O28
58
36
603.55
mp-1197866
13.367282
6.761909
-0.621958
other
Cs4U2Si12O30
48
36
842.01
mp-1106096
-5.868906
-3.869984
-1.650776
other
Ba4Y2In2Te10
18
36
682.48
mp-510544
10.259184
10.332301
3.441136
other
Sr2Sm4Nb4O18
28
36
401.62
mp-1229202
-3.845014
-1.976011
-5.300753
other
Ag2Bi6Pb2S12
22
36
565.62
mp-680161
-5.791879
-3.752923
-1.447866
other
Sm16Cr2Te26Cl2
46
36
1,365.64
mp-554361
8.339647
2.423264
-1.297475
other
Tc2Xe2O8F10
22
36
380.8
mp-1189739
-5.841874
-3.86978
-1.713642
other
Ba4Y2Ga2Te10
18
36
658.82
mp-707304
12.864317
5.686496
-1.768343
other
Be8Si4H4O18
34
36
311.83
mp-19422
-3.506231
-1.095235
-5.470785
other
Na6V2S6O2
16
36
350.72
mp-1105922
-5.836285
-3.870329
-1.724763
other
Ba4Dy2Ga2Te10
18
36
660.3
mp-1195201
7.499082
6.520586
-2.965382
other
K4Au2I10O30
46
36
832.22
mp-1219558
-1.175913
2.371081
-3.357558
other
Sb2Pb4S4I6
16
36
552.45
mp-733796
8.538548
1.768695
0.395392
other
Ba6Nb4O8F24
42
36
706.16
mp-1204676
9.871911
10.659369
3.367352
other
Ba2La4Ti6O20
32
36
441.51
mp-1209460
8.849663
1.764611
0.283089
other
Rb4Mo2O4F8
18
36
315.56
mp-1209819
-0.543527
1.378583
-4.415072
other
Rb10Mo4Br18O2
34
36
1,255.21
mp-11738
-2.232976
-0.771644
-5.629545
other
Na6P2S6O2
16
36
336.13
mp-1200752
8.183158
6.484204
-5.357685
other
K4Cd6S6O32
48
36
764.65
mp-1227138
9.909744
10.751616
2.168795
other
Ca2Sm2Cr2O8
14
36
180.1
mp-755063
8.178874
13.877197
-1.325645
other
Li4V2Fe6O16
28
36
283.99
mp-728301
7.780669
4.806309
-6.134192
other
K4Mn2C8O20
34
36
467.18
mp-14364
10.60063
7.953564
-1.154069
other
Cs4Li2As2O8
16
36
317.59
mp-1177633
8.069377
16.045765
-0.736854
other
Li6Mn6Co2O16
30
36
283.92
mp-775524
11.791692
13.52798
-1.389872
other
Li4V6Fe2O16
28
36
292.14
mp-1180003
2.596579
2.759281
-3.899479
other
Pt4I20N8O8
40
36
1,282.45
mp-542168
10.914251
7.422615
-0.647196
other
Cs8Co4Si4O16
32
36
622.42
mp-1203937
2.675859
2.975629
-4.142991
other
Mo4N10Cl18O2
34
36
1,030.93
mp-771575
8.765751
14.771345
-0.471233
other
Li4Ti2Mn6O16
28
36
291.47
mp-558401
11.24657
11.031343
-0.789292
other
Na10W2N2O8
22
36
314.73
mp-865492
-4.593168
-3.559086
-3.991826
other
Lu2Cu2Pb2Se6
12
36
286.77
mp-10990
1.872998
2.909316
0.663452
other
Al8C2N6O2
18
36
244.78
mp-775929
11.452077
9.886841
3.392203
other
La4Nb4N4O10
22
36
308.05
mp-1096946
11.001531
11.657313
-3.266814
other
Cs4V2H2O8
16
36
318.42
mp-865269
-4.583515
-3.584797
-4.013391
other
Tm2Cu2Pb2Se6
12
36
290.16
mp-1223562
11.054464
8.026057
2.852499
other
La16Ti8Se20O16
60
36
1,255.74
mp-760295
7.919302
14.049931
-1.043279
other
Li6Cr2Fe6O16
30
36
268.75
mp-1194048
7.944712
11.693848
-0.591485
other
Ba2Y2Co8O14
26
36
370.1
mp-759890
10.032042
12.16423
0.264796
other
Li16Fe2O8F4
30
36
306.38
mp-1078511
-4.40342
-1.508845
-4.757316
other
Cu2As2Pt2S4
10
36
178.65
mp-1227009
-2.459058
-2.79141
-4.955835
other
Ce8S8Cl4O2
22
36
510.42
mp-1106146
-5.857705
-3.855891
-1.676415
other
Ba4Er2In2Te10
18
36
671.54
mp-1202545
10.522439
7.032907
-2.771165
other
Ca2V2Si8O28
40
36
651.1
mp-1217230
12.507642
12.758139
-1.158749
other
V10Fe2Pb2O22
36
36
410.09
mp-755064
7.97912
12.538294
-0.723119
other
Li16Co4O12F4
36
36
385.43
mp-761267
10.283934
2.147743
1.106688
other
Li4V2O2F8
16
36
188.64
mp-758290
14.495831
9.01205
-3.082193
other
Li2V8P6O24
40
36
516.7
mp-1227142
8.067565
11.084185
1.725103
other
Ca2Nd2Fe2O8
14
36
185.76
mp-1200285
10.153527
7.010571
-3.186934
other
Ca2V2Si8O30
42
36
661.72
mp-1228714
9.948114
9.326632
0.307614
other
Ba2In16Ni4O30
52
36
704.38
mp-1218749
-3.975691
-5.436148
5.192928
other
Sr4Li2Mg2Si6
14
36
322.12
mp-1193020
10.968613
11.029592
0.447354
other
Ba2Gd2Fe8O14
26
36
393.48
mp-1106172
8.226479
0.890303
-4.155928
other
B2H10N2Cl2
16
36
188.19
mp-554472
6.544751
2.820545
-3.371648
other
P6N6Cl6F6
24
36
512.45