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-1653421
9.419577
12.304117
-0.003367
other
Li26Mn4O18
48
1
469.47
mp-1182545
10.434282
3.742461
-4.101436
other
Ba2H32O20
54
1
503.62
mp-1376270
8.318138
5.692876
-1.608069
other
V4Cr4O12
20
1
209.63
mp-849640
11.077908
0.321657
1.69648
other
Mn12O2F22
36
1
474.03
mp-694957
8.103572
13.909347
-1.434707
other
K1Mn4O8
13
1
168.47
mp-1380148
7.552268
4.751784
-1.734496
other
Zr16N16O8
40
1
538.46
mp-1046940
11.116437
9.149945
0.25618
other
Zn4Sn4O8
16
1
272.24
mp-28717
-4.484035
-1.364728
-5.30415
other
Cu12As8S18
38
1
720.76
mp-998193
8.406255
1.442057
1.257021
other
Rb1Sn1F3
5
1
112.25
mp-1182334
10.437217
3.726441
-4.138121
other
Ca2H32O20
54
1
456.39
mp-677126
8.273535
1.363893
0.335676
other
Ca10Yb5F35
50
1
634.05
mp-627206
13.39944
7.5067
-1.282543
other
Si20H20O30
70
1
946.96
mp-998398
-0.527005
1.239142
-4.472139
other
In1Sn1Br3
5
1
210.54
mp-1176549
12.495726
13.401503
-1.354945
other
Li2V6O12
20
1
206.69
mp-1567233
11.518067
8.068754
-8.003721
other
Mn6P8O28
42
1
580.97
mp-1336779
-2.895169
-2.637577
-5.751898
other
Lu20Fe10S40
70
1
1,558.33
mp-760217
11.648545
12.153531
2.067276
other
Na3Ti12O24
39
1
438.01
mp-625501
10.575807
3.561678
-4.053377
other
Na2H18O10
30
1
282.56
mp-627119
10.34568
8.36738
-4.942791
other
V4H4O12
20
1
260.83
mp-765618
12.73613
-0.124539
0.009662
other
Mn6O7F5
18
1
200.88
mp-854025
7.707618
4.863426
-1.720342
other
Ti16N16O8
40
1
428.7
mp-757320
11.675
12.714079
0.421413
other
Ti13Fe15O42
70
1
763.43
mp-765235
11.175347
9.538813
4.285583
other
Zr32N17O39
88
1
1,085.77
mp-29157
-2.792514
-3.662594
1.019862
other
Si6P4Pt2
12
1
205.4
mp-849718
10.748918
12.417174
2.286016
other
Na12Ti24O54
90
1
1,082.2
mp-2233708
7.56781
8.836835
-0.978704
other
Mg1Bi4O8
13
1
257.94
mp-1219375
7.36894
7.175768
-4.138631
other
Se2N3O8
13
1
267.65
mp-849761
9.604191
8.577681
-0.534107
other
Ga1Bi25O39
65
1
1,098.02
mp-698616
8.767955
1.426096
1.726107
other
Rb6Fe2F6
14
1
371.04
mp-1333532
12.987127
10.610768
-0.096235
other
Mg6Mo12O24
42
1
537.31
mp-766009
10.059189
8.445225
3.165214
other
Y11Tm5O24
40
1
584.97
mp-1244873
10.734197
12.983089
-0.899804
other
Cr24Fe8O48
80
1
967.65
mp-807985
7.550869
4.662672
-1.410859
other
Fe8O6F10
24
1
282.91
mp-581229
11.638604
7.409935
0.214669
other
Gd12Ge12O42
66
1
883.79
mp-1101565
12.335215
7.88951
-7.466039
other
Fe3P4O14
21
1
271.95
mp-674312
10.473776
11.497975
2.799351
other
Eu2Nb4O13
19
1
286.36
mp-755791
12.741551
-0.16156
-0.022738
other
Mn6O7F5
18
1
200.89
mp-780444
10.540311
2.262019
-0.191639
other
V6O5F19
30
1
439.29
mp-760354
10.334193
1.880259
2.175798
other
Li3Fe3F9
15
1
180.53
mp-676877
2.745623
3.103912
-4.352553
other
Nb1Cl4O2
7
1
198.05
mp-758189
9.605828
0.540519
-0.281945
other
Li2Cu3F8
13
1
153.45
mp-675069
10.670542
12.103453
2.445636
other
Li14Nb14O42
70
1
778.32
mp-625407
10.545335
8.386149
-4.923859
other
V6H6O18
30
1
362.92
mp-776310
8.17746
9.771036
2.243728
other
La8Cu3O16
27
1
374.07
mp-754441
8.780806
15.471823
-1.520975
other
Mn8O12F4
24
1
252.98
mp-626977
13.453278
7.609977
-1.234773
other
Si20H20O30
70
1
986.86
mp-1355860
12.813235
10.197915
0.313044
other
Zn6W12O24
42
1
557.47
mp-686744
0.558905
2.077944
-4.316771
other
Li6N1Cl3
10
1
161.49
mp-850876
10.54212
2.310023
-0.331565
other
V4O4F12
20
1
289.32
mp-1185648
-6.104645
-8.438246
5.653969
other
Mg16Al12Au1
29
1
574.85
mp-784958
7.698193
5.225281
-1.845852
other
Dy11Y5O24
40
1
610.66
mp-1229320
10.83895
9.753737
-2.158981
other
Bi26Mo10O69
105
1
1,754.44
mp-531591
12.032176
13.100996
-0.767524
other
Mn20V10O40
70
1
828.94
mp-685394
12.48177
7.555356
0.663799
other
Eu2Al42O65
109
1
1,233.56
mp-2214704
6.318831
13.371993
-2.135874
other
Zn4Co6O16
26
1
271.14
mp-780234
1.6857
1.803169
2.915588
other
Hf16N16O8
40
1
502.74
mp-1044887
10.912072
9.375519
-0.207376
other
Mg6Sb12O24
42
1
671.67
mp-764625
12.787942
-1.162352
0.760765
other
Mn12O10F14
36
1
424.56
mp-676813
-1.243214
2.912643
-3.051028
other
Rb4Ag16I20
40
1
1,638.21
mp-1237649
7.198011
6.956757
-4.254406
other
Y2V10O53
65
1
980.69
mp-649130
2.222474
2.770259
-4.494536
other
Al2Se2Cl14
18
1
581.86
mp-1069193
3.307182
3.182894
-3.923589
other
Pd1N2Cl2
5
1
121.7
mp-1204358
5.393596
-0.453671
-2.991622
other
Mg4B8H30
42
1
648.38
mp-761072
12.721936
-0.04961
-0.063672
other
Mn12O14F10
36
1
402.98
mp-1079049
3.307686
3.2325
-3.967025
other
Ir1N4Cl4
9
1
221.69
mp-779837
1.67857
1.805672
2.945417
other
Hf16N16O8
40
1
502.06
mp-759766
9.634768
8.570796
-0.577218
other
Bi25B1O39
65
1
1,197.44
mp-780299
5.224569
11.781534
-2.380729
other
Fe10O16F4
30
1
326.63
mp-779771
6.930632
19.490026
-0.265362
other
Li22Mn12O32
66
1
589.41
mp-1244931
10.837265
12.854908
-0.942246
other
Cr24Fe8O48
80
1
1,006.06
mp-690572
6.092726
13.287682
-1.438538
other
Li5Ni6O12
23
1
198.09
mp-780133
12.718949
-0.092905
-0.054382
other
Mn12O14F10
36
1
394.09
mp-1379904
7.594872
4.723092
-1.762967
other
Zr16N16O8
40
1
538.28
mp-554765
8.296911
1.925375
-0.460929
other
Ba1Sb2F12
15
1
244.58
mp-758559
5.414469
11.145744
-2.261167
other
Li6Fe10O24
40
1
440.38
mp-850944
9.184024
12.205224
0.068754
other
Li21Co8O18
47
1
489.67
mp-850218
7.249305
12.135616
-0.964085
other
Li35Fe8O32
75
1
803.63
mp-760946
10.115016
1.144708
0.294571
other
Cr8O2F22
32
1
397.26
mp-766370
10.614108
9.86074
3.986084
other
Ce1Zr9O20
30
1
358.36
mp-779105
9.420865
0.769494
-0.528624
other
Cu6O1F11
18
1
198.78
mp-1310109
10.497594
0.954095
-1.401676
other
Co6O4F8
18
1
200.66
mp-761159
10.901759
0.957315
1.916777
other
Mn16O8F16
40
1
542.35
mp-757435
11.064709
12.954813
-0.115594
other
Ti11Fe17O42
70
1
748.92
mp-756827
10.146771
0.693989
-0.213369
other
Li2Mn4F18
24
1
354.88
mp-1049297
10.685863
9.303745
0.473257
other
Ca6Sn12O24
42
1
687.32
mp-774398
12.696062
-0.092825
-0.064771
other
Mn12O14F10
36
1
395.28
mp-777622
10.346388
1.823465
2.2162
other
Li4Fe4F12
20
1
239.55
mp-764583
12.824359
-1.194381
0.815058
other
Mn6O5F7
18
1
212.62
mp-760022
12.78814
-1.141035
0.793205
other
Mn12O10F14
36
1
429.22
mp-766117
2.544169
2.573713
1.102228
other
Sn16N16O8
40
1
535.32
mp-2228541
8.98307
14.87183
-0.517929
other
Mg1Mn5O8
14
1
165.96
mp-1180037
6.947506
5.969028
-4.030777
other
Ni1S1O9
11
1
148.7
mp-765476
10.037395
8.457564
3.155238
other
Y13Ho3O24
40
1
594.09
mp-755516
12.960711
0.784879
2.01926
other
Fe6O4F8
18
1
216.3
mp-1333926
12.764781
10.150391
0.345226
other
Ca6W12O24
42
1
620.35
mp-761088
12.250269
-0.935228
0.886193
other
Mn12O7F17
36
1
437.56
mp-694085
-3.468044
-1.491398
-5.591997
other
Ti4Tl16S16
36
1
1,103.98
mp-626835
10.110894
3.862956
-4.065138
other
H16Pt2O12
30
1
233.21
mp-2214957
8.897035
14.110171
-1.348287
other
Mn5Cr2O12
19
1
221.2
mp-2232142
9.938022
10.08173
-0.894705
other
Mg1Sb4O10
15
1
193.77