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-1397656
10.104784
9.56611
-0.099659
other
Zn2Sn3O8
13
12
168.69
mp-1078036
-3.470808
0.332299
2.642091
other
U2Mo2C3
7
12
97.19
mp-757202
6.022987
8.977166
-1.37165
other
K7Bi9O24
40
12
628.62
mp-540636
9.169757
2.935852
-0.026761
other
W4O4F16
24
12
329.65
mp-1100499
7.133452
19.584133
-0.112209
other
Li9Mn7O16
32
12
296.54
mp-849388
14.286074
12.991666
-1.268036
other
V4O6F2
12
12
131.74
mp-1184507
-8.157601
-3.25845
4.353533
other
Er4Ga21Ni10
35
12
538.61
mp-996995
8.864253
14.548525
-0.980288
other
Mn1Ag1O2
4
12
50.02
mp-1174250
4.109235
19.667452
-1.81662
other
Li8Co6O14
28
12
251.76
mp-1385787
10.692416
12.498953
2.074133
other
Ti3Zn2O8
13
12
145.82
mp-776431
7.812099
9.797189
-3.839424
other
Be4Cr4O16
24
12
278.77
mp-1247555
1.538229
1.84821
1.325987
other
Sr9Mn2N8
19
12
413.46
mp-22942
6.183302
8.69127
-0.125738
other
Ba2Bi2O6
10
12
167.31
mp-979966
-3.64114
0.684585
2.788743
other
Yb2Cr2C3
7
12
96.64
mp-1176452
9.925336
9.074265
0.391204
other
Mn4Cd16O20
40
12
508.05
mp-19149
6.30003
12.73307
-1.317998
other
Na1Ni1O2
4
12
38.9
mp-997086
7.17242
9.748149
-0.201168
other
Sr2Ag2O4
8
12
123.67
mp-1217730
-7.722669
1.065609
4.99249
other
Tb2Fe17C1
20
12
262.34
mp-1042238
9.669687
8.565146
-0.156423
other
Mg2Bi4O8
14
12
220.64
mp-757143
10.678097
0.038494
0.520911
other
Li4Mn6F20
30
12
423.28
mp-1188429
-6.868921
-4.458838
5.254451
other
Nd4Al2Ge12
18
12
387.36
mp-27877
9.706174
11.717147
-4.055642
other
V2Mo1O8
11
12
144.07
mp-5328
-2.572351
-0.59736
-5.438986
other
Cd2P2S6
10
12
230
mp-569818
-5.051982
-4.050821
6.009392
other
Er6Si6Ni2
14
12
265.52
mp-570499
2.259649
1.971463
1.807163
other
La5B2N6
13
12
202.18
mp-1209106
10.562191
9.343865
-0.674956
other
Sb8Cl2O12
22
12
405.63
mp-553994
-5.685177
-2.306692
-2.396059
other
Ni12Bi8S8
28
12
511.42
mp-1246116
0.023443
2.469839
2.049137
other
Mn9Fe2N8
19
12
181.46
mp-760941
10.45949
0.653516
-0.706546
other
Co6O2F10
18
12
211.59
mp-755566
11.578255
12.084606
0.368162
other
Li8Cr4O8
20
12
200.33
mp-752965
12.757811
13.37846
-0.937099
other
Li4V6O12
22
12
228.36
mp-1228125
-5.969475
-7.055195
3.001377
other
Ba2Cd2Pb2
6
12
203.24
mp-760490
16.862801
9.474466
7.2713
other
Mg7Cu2O9
18
12
173.08
mp-1105347
8.405528
10.853967
0.480269
original
Eu5Mo2O12
19
12
283.98
mp-634989
-5.762088
-3.630228
-2.087164
other
Tl1Sb1Te2
4
12
154.52
mp-752779
9.744715
1.847508
0.578542
original
Li2V1F6
9
12
125.8
mp-753833
-4.668777
-0.477611
-5.59674
other
Li2Cr1S4
7
12
119.43
mp-1282881
6.292745
13.752277
-2.271241
other
Li2Co8O16
26
12
279.63
mp-1182001
10.891702
12.304513
-3.308812
other
Ca3V2O8
13
12
173.65
mp-1275201
8.960891
14.906555
-0.972926
other
Mn4Cu2O8
14
12
154.04
mp-1291459
11.453373
12.301097
0.328132
other
Li8Cr4O8
20
12
214.04
mp-754621
11.714794
7.352793
0.191545
other
Sm2Ge2O7
11
12
163.26
mp-760483
7.433617
13.324266
-1.154394
other
Li4Pd2O6
12
12
107.41
mp-1178176
7.998321
10.788097
-0.81697
other
Hg1Pt1O2
4
12
68.02
mp-557783
10.677795
11.853598
0.267188
other
Y3Fe6O12
21
12
273.68
mp-10094
11.155101
10.095057
2.074421
other
Tm5Re2O12
19
12
238.8
mp-1246417
4.769444
2.185532
-3.144327
other
Rh2C3N6
11
12
132.55
mp-1246656
11.116343
13.635378
-2.502842
other
V3Cr1O8
12
12
147.55
mp-1222556
7.671802
5.647196
-3.117057
other
Lu2In2O12
16
12
203.17
mp-1042260
10.650663
9.495997
0.04195
other
Ca2Sb4O8
14
12
242.58
mp-1175497
4.147811
19.658203
-1.774815
other
Li9Co7O16
32
12
290.15
mp-1215007
8.359478
1.298633
-0.305274
other
Ba3Ni1F12
16
12
330.52
mp-9771
12.07119
10.864155
2.067224
other
U1Ti2O6
9
12
112.64
mp-1104120
-6.854115
-4.003765
-0.176268
other
Bi4Pd6S4
14
12
297.15
mp-541823
-5.556215
-0.078865
-5.692858
other
Tl1Cr5S8
14
12
263.25
mp-675477
-4.555588
-2.831396
-3.828081
other
Sn4Bi2Se7
13
12
383.23
mp-1193772
8.635792
10.714948
-3.116652
other
Tl8Cr4O16
28
12
495.34
mp-1232145
-4.554867
-3.98069
-3.895663
other
Er2Mg2Se6
10
12
287.23
mp-1181316
7.169039
7.880177
-3.565697
other
Fe3As2O16
21
12
277.84
mp-1147652
9.302139
12.989964
0.850249
other
Ho2Mn4O8
14
12
184.75
mp-1246727
1.074381
2.412901
1.649084
other
Zn8Fe3N8
19
12
275.13
mp-1101075
-7.632364
-3.273776
5.287158
other
Y3Co2Ge4
9
12
169.17
mp-1408789
12.75073
11.005859
0.266344
other
Mg4V4O8
16
12
192.2
mp-573548
-8.019754
-4.834967
5.146115
other
La3Ga2Ni4
9
12
175.6
mp-1277600
6.720054
19.536577
-0.359016
other
Li10Mn6O16
32
12
285.49
mp-30973
-5.67258
-2.60734
-1.950488
other
Ni6Bi4Se4
14
12
272.04
mp-1197789
-8.298918
-5.421483
3.329989
other
La4In21Pd10
35
12
818.26
mp-1101171
10.414772
9.57343
3.690806
other
Y2Zr2O7
11
12
185.97
mp-568819
-0.609261
1.073858
-4.231447
other
Bi20Pt3Br36
59
12
2,329.53
mp-16234
-4.520118
-2.819056
-4.034502
other
Cs2Ag6Se4
12
12
317.92
mp-1387574
1.176583
2.353587
1.971743
other
Mg4Cr2N4
10
12
119.43
mp-1209520
8.50687
0.759275
1.045602
other
Rb3Cr1F6
10
12
311.86
mp-1206070
8.407705
1.587115
1.389404
other
Ba3Ru1F6
10
12
270.82
mp-1178345
7.082609
9.211445
0.052191
other
Eu1Ag1O2
4
12
70.34
mp-1104145
-3.27805
-4.105393
0.70551
other
Eu4Zn4P6
14
12
292.89
mp-756848
5.146372
11.355319
-2.296095
other
Fe8O14F2
24
12
256.64
mp-1227020
-7.328338
-6.968506
3.38001
other
Ca2Zn2Ag2
6
12
131.32
mp-1209652
-0.802344
0.873531
-3.845729
other
Rb4Nb6Br18
28
12
910.55
mp-510357
-0.981998
1.34112
-2.3297
other
La8B8Br10
26
12
692.61
mp-1173808
6.171486
8.987222
-1.218182
other
Na2Bi21O42
65
12
1,030.63
mp-1223378
1.251571
2.021564
-5.492871
other
K1Na4Cl5
10
12
237.21
mp-757739
6.094609
11.361529
0.043137
other
Sr6Co6O16
28
12
356.2
mp-30291
-3.148411
-3.694019
-4.510044
other
Tb4Se3N2
9
12
208.08
mp-1176453
8.456868
14.062796
-1.637248
other
Mn5Cr1O12
18
12
206.71
mp-2490654
10.640335
12.648121
-3.814288
other
Mn2V4O12
18
12
254.34
mp-530102
12.661163
12.070962
-0.366021
other
Li21Mo11O32
64
12
646.41
mp-618788
-4.606626
-3.971804
0.669725
other
Ba2Cu20P8
30
12
433.09
mp-1078248
-3.037095
0.502709
2.601722
other
Gd2Cr2C3
7
12
96.57
mp-573877
-8.000499
-5.391558
3.327888
other
Tm3Cu4Sn4
11
12
234.13
mp-1192655
-4.085384
-3.626488
-2.6976
other
U8Cr1Se17
26
12
665.4
mp-1219235
-7.68271
1.119743
4.930648
other
Sm2Fe17N2
21
12
271.04
mp-754779
-3.654708
-0.762191
-5.089093
other
Li4Nb2S6
12
12
202.49
mp-561902
-3.901739
-1.604507
-5.413362
other
Cs2Ag6S4
12
12
293.39
mp-1245727
5.174937
2.245755
-2.905564
other
Ti2C3N6
11
12
109.85
mp-1232150
-4.53677
-3.756943
-3.890171
other
Mg2Sc2Se6
10
12
265.92
mp-1217118
-5.48998
-1.848818
-1.765803
other
Ti3Te2Se2
7
12
159.29
mp-676713
7.612592
8.664643
-1.616795
other
Hf8Pb1O24
33
12
566.69
mp-1053454
-5.679698
-6.561756
4.473969
other
Li2Ce1Al1
4
12
106.4
mp-1232164
-3.050922
-2.315759
-5.859322
other
Er2Mg2S6
10
12
251.45
mp-1045893
7.17513
12.431158
-1.156561
other
Zn2Ni9O13
24
12
230.43