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-542964
-4.145815
-4.322063
-3.831757
other
Eu4Tm8Se16
28
62
737.82
mp-556857
12.105447
12.10296
-2.070657
other
V4Cd4O12
20
62
269.95
mp-23457
1.81162
2.206179
-3.963613
other
P12Br24N12
48
62
1,530.82
mp-771161
8.127555
8.508418
0.394208
other
Ba12Br8O8
28
62
931.34
mp-18556
-3.953518
-1.61484
-5.542137
other
Rb8Cd12S16
36
62
1,011.01
mp-28600
9.133353
0.321921
0.932476
other
Rb8Fe4F20
32
62
521.21
mp-17904
10.240534
9.734295
3.226212
other
Nd8Ti4O20
32
62
474.15
mp-777541
12.190875
1.057317
2.390141
other
Fe8O4F12
24
62
314.71
mp-1198174
9.594989
10.215508
-3.862664
other
Cu4Mo12O44
60
62
926.96
mp-1106100
-6.121729
-6.219441
3.886531
original
Li4Eu4Ge8
16
62
345.42
mp-1189166
-8.477867
-5.039869
2.982525
other
Tm4Ge4Pd8
16
62
284.06
mp-641183
-5.309791
-3.74795
-1.397096
other
Ce16Te12N8
36
62
1,002.57
mp-31097
3.430308
-0.578868
-2.57178
other
K4Al4H16
24
62
364.69
mp-1245552
0.430489
2.188987
2.272807
other
Ti4Fe4N8
16
62
163.63
mp-616461
1.393874
2.176363
-5.534703
other
Na8Zn4Cl16
28
62
694.22
mp-1232101
-4.139844
-4.215642
-3.548453
other
Ce8Mg4Se16
28
62
887.02
mp-505782
10.401771
4.638303
-6.596373
other
Cs8S4O16
28
62
564.58
mp-19967
-5.486607
-2.578055
6.040171
other
Lu4Mn4Si4
12
62
205.21
mp-1254277
8.672801
13.354494
-0.844675
other
Al4Fe4O12
20
62
179.4
mp-1211172
10.774276
9.766848
-1.945033
other
Mn24Te20O64
108
62
1,664.04
mp-772310
8.930521
11.389264
-3.899854
other
V4Cr4O20
28
62
390.29
mp-21286
-7.269309
-1.100709
3.377288
other
Mn4Co4Ge4
12
62
155.79
mp-27893
6.868165
0.303898
-3.576975
other
B40H72N8
120
62
996.31
mp-19269
10.232198
11.013495
1.930244
other
Nd4Cr4O12
20
62
231.45
mp-1183981
11.170146
10.869907
-3.508053
other
Cs8Mo4O16
28
62
743.9
mp-5857
12.520768
7.671946
0.49948
other
Mg4Al8O16
28
62
247.32
mp-1209553
-3.085228
0.192924
2.619848
other
Pu4Mo4C8
16
62
206.54
mp-1378965
6.223456
8.953426
-0.454624
other
Ca4Bi4O12
20
62
289.41
mp-1191301
-8.260122
-6.262186
2.338276
other
Rb4Ga8Au12
24
62
558.56
mp-1246094
0.398686
2.53324
1.934041
other
Co16C4N16
36
62
306.48
mp-561368
6.684983
5.843141
-3.469113
other
Na4Cl4O16
24
62
289.56
mp-1103440
-8.533543
-5.023345
5.56874
other
Gd4Zn4Rh4
12
62
227.89
mp-1246142
-5.48171
-2.332499
-1.648395
other
Ti16Te12N8
36
62
710.2
mp-21806
-7.952853
-2.029986
2.859856
other
Y4Ni20Ge12
36
62
492.16
mp-772413
12.64794
7.264142
0.609415
other
Al32Si4O56
92
62
1,071.08
mp-770392
-0.219827
0.779922
-3.717098
other
Ba4La4Br20
28
62
986.07
mp-755258
12.008802
10.781508
1.102765
other
Tm4V4O12
20
62
218.7
mp-1189077
-8.416047
-4.972275
2.984379
other
Ho4Ge4Pd8
16
62
288.34
mp-605485
-5.076676
-0.929717
-5.297525
other
Fe8Cu4S12
24
62
435.29
mp-645338
13.824525
4.245101
-2.125229
other
Sm16B48O96
160
62
1,521.6
mp-1212894
-6.669838
-3.412345
0.950303
other
Dy4Sb4Rh4
12
62
253.03
mp-771922
-1.26074
1.928069
-1.59829
other
Ba12Y4I36
52
62
2,412.45
mp-1371447
11.651964
9.653035
0.608572
other
Al4Sb4O12
20
62
259.29
mp-764783
10.324874
0.771867
1.504524
other
Li4Mn4F12
20
62
295.13
mp-1207575
-7.784831
-3.049795
4.749226
other
Yb4Co4Ge4
12
62
205.98
mp-1197140
8.810414
1.758212
1.50193
other
K8Ti4F20
32
62
517.18
mp-1097045
-0.577959
1.173813
-4.431146
other
K8Ru4Br24
36
62
1,115.39
mp-23415
-1.178133
2.941598
-3.030886
other
Tl4Fe4I12
20
62
635.31
mp-30156
2.163224
2.225659
1.509266
other
Li4Mg4N4
12
62
123.53
mp-1208682
-9.587519
-4.69267
3.839117
other
Sm4Cu20Sn4
28
62
438.79
mp-1103227
-5.843219
-2.213396
4.832268
other
Hf4Co4Si4
12
62
171.37
mp-1193410
-2.604151
-2.686577
-5.587726
other
Ba4Dy8S16
28
62
722.6
mp-1103160
-5.929419
-0.971548
1.547882
other
Sc4Co4P4
12
62
164.63
mp-696216
5.263723
3.086864
-3.982641
other
H8S24N8
40
62
843.35
mp-554040
8.77036
7.208875
-3.879324
other
Cu4Se4O16
24
62
295.05
mp-561102
10.085434
8.829739
-0.256054
other
In4Bi4O12
20
62
283.95
mp-1184180
-6.075104
-3.1824
-2.052232
other
Cu4Te4As4
12
62
296.16
mp-1211066
6.900762
6.030554
-4.058167
other
Ni4S8O36
48
62
935.51
mp-542299
8.173815
10.225052
-0.315034
other
Rb8Co8O12
28
62
551.3
mp-14155
13.223028
6.384863
-6.731895
other
Ho4P20O56
80
62
976.94
mp-9475
6.265952
4.944712
-4.431518
other
K4N4O12
20
62
277.37
mp-780695
5.85622
10.475993
-1.738131
other
Na12Fe4O16
32
62
429.69
mp-559014
10.521197
8.259584
2.202699
other
Nd16Ge4O32
52
62
777.07
mp-5692
8.671192
10.568704
1.29093
other
Tb4Rh4O12
20
62
229.55
mp-1239177
-5.638839
-0.183645
-5.846718
other
Cr8Ag4S16
28
62
485.66
mp-5126
10.531807
4.360885
-7.183543
other
Zn4S4O16
24
62
272.6
mp-1207382
-5.229171
-2.857172
3.879529
original
Zr4Si4As4
12
62
219.68
mp-556021
10.136005
9.179316
-1.727664
other
Ba12Te12O36
60
62
1,133.01
mp-30437
-7.945833
-5.474556
2.880558
other
Ca4Sn4Pd4
12
62
272.63
mp-756109
10.4519
1.84163
2.159955
other
Li4Fe4F12
20
62
217.73
mp-1212329
-6.955599
-4.412589
5.504021
other
Ho16Mg4Ge16
36
62
814
mp-1208564
-5.701801
-1.447194
2.746011
other
Ta4V4P4
12
62
165.89
mp-1103008
-6.352084
-7.159371
3.203868
other
Eu4Mg4Pb4
12
62
362.22
mp-505512
-5.044403
-4.192416
5.757759
other
Ce8Sc12Si16
36
62
773.53
mp-1232225
-4.437597
-3.806177
-3.751148
other
Yb8Mg4Se16
28
62
682.82
mp-505418
-1.293934
2.177233
-1.900194
other
Cs4Dy4I12
20
62
891.96
mp-1192666
-8.198702
-3.846021
1.973004
other
Mn4Ge8Pd12
24
62
369.15
mp-1212784
10.178576
8.426418
3.032643
other
Eu4Tm8O16
28
62
396.52
mp-27899
1.07483
2.160991
-5.412484
other
Cd12As4Cl12
28
62
769.57
mp-1222055
10.64209
8.729736
2.950985
other
Mg4Sc8O16
28
62
312.75
mp-1211987
10.185153
8.433648
2.267793
other
La16Ge4O32
52
62
819.97
mp-12457
-3.495283
-2.266995
-5.865919
other
Lu4Cu4S8
16
62
312.82
mp-1043866
10.977901
12.229033
2.220047
other
Mg4Ti12O28
44
62
574.01
mp-1246143
1.899357
2.23225
0.83457
other
Rb4Mg4N4
12
62
294.72
mp-19738
-5.461539
-2.588075
6.059458
other
Er4Mn4Si4
12
62
212.19
mp-22997
0.342817
1.70985
-4.538139
other
Pb4Br4Cl4
12
62
336.53
mp-1199517
-5.106596
-4.382764
6.154876
other
Pr28Si20Ni8
56
62
1,379.62
mp-18036
-5.630953
-1.76407
0.799314
other
Th4Ni8P8
20
62
316.47
mp-1095573
-6.016366
-1.596246
4.195557
other
Nb4Co4Si4
12
62
159.18
mp-17443
6.164235
9.837791
-1.840676
other
Cs8Fe4O16
28
62
586.63
mp-755574
11.137722
8.191753
2.114072
other
Lu4Al4O12
20
62
202.06
mp-22302
-5.566346
-1.734167
2.571365
other
Zr4V4P4
12
62
183.53
mp-22416
12.063057
9.81398
2.252714
other
Sm4Ti4O12
20
62
243.43
mp-626222
8.338356
4.854829
-3.957833
other
H20Cl4O24
48
62
532.26
mp-541493
10.269665
11.880012
-4.16401
other
U4V8O32
44
62
727.31
mp-605252
-8.175045
-3.582
5.74315
other
Dy4Ga4Co4
12
62
207.71
mp-5014
-4.595342
-1.485757
-5.658035
other
Cu4Ag4S4
12
62
220.61
mp-1245883
-5.624838
-3.719239
-1.58416
other
Sc16Te12N8
36
62
823.34
mp-1232260
-4.022094
-1.360601
-5.757115
other
Mg4In8S16
28
62
585.34
mp-20308
-5.841173
-2.829159
6.052876
other
Tm4Si4Ru4
12
62
207.3