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-755424
12.772612
-0.12064
0.007276
other
Mn6O7F5
18
1
201.66
mp-1332956
7.788624
5.171788
-1.359403
other
K4W4O10
18
1
271.44
mp-1041957
12.826561
10.834888
-0.709406
other
Al1W3O8
12
1
155.48
mp-1044744
12.476686
11.020454
-1.36554
other
Pr2Mo4O12
18
1
250.42
mp-686109
-4.696159
-1.332835
-5.687679
other
Cu69Sb24S78
171
1
3,344.12
mp-775785
1.687222
1.806081
2.93397
other
Hf16N16O8
40
1
502.72
mp-2229268
11.311869
10.884412
-3.345397
other
Mg1Mo4O12
17
1
236.05
mp-762268
10.501648
13.514925
-2.276246
other
Li3V2O6
11
1
107.03
mp-1178287
5.222254
11.79582
-2.390297
other
Fe10O16F4
30
1
326.37
mp-849381
13.344137
0.420632
1.182443
other
Fe10O9F11
30
1
350.87
mp-626554
10.59774
3.538934
-4.058599
other
Na2H18O10
30
1
273.73
mp-780773
13.362166
0.442233
1.197284
other
Fe10O9F11
30
1
352.55
mp-530480
-6.127442
-1.928144
1.268686
other
Li19Fe20As20
59
1
883.5
mp-1181734
11.607454
4.443588
-4.123959
other
Ge7H18O23
48
1
480.39
mp-2219134
-4.843834
-1.379473
-5.766874
other
Mg1Cu6S6
13
1
219.98
mp-685415
-0.236614
0.993732
-4.190232
other
Na15Sm5Br30
50
1
1,655.04
mp-1238195
3.412855
-0.643037
-2.301408
other
Li12Be6H24
42
1
402.35
mp-778702
12.709761
-0.051888
-0.064728
other
Mn12O14F10
36
1
398.49
mp-759809
10.534364
2.244742
-0.185881
other
V6O5F19
30
1
440.03
mp-1100934
10.338995
9.388182
-1.652959
other
V2Bi8O17
27
1
529.06
mp-780104
12.278531
-0.927097
0.903383
other
Mn12O7F17
36
1
436.42
mp-754560
11.600029
-0.272646
1.382172
other
Mn6O2F10
18
1
232.32
mp-1398032
7.823415
3.674906
-1.289945
other
Sc1N3F6
10
1
217.32
mp-753988
12.390023
12.709011
-0.590469
other
V4Cr4O12
20
1
199.01
mp-1245241
11.059448
12.779555
-0.817229
other
Cr28Fe4O48
80
1
991.26
mp-996984
5.812319
5.488319
-3.918567
other
Ag1Cl1O2
4
1
108.36
mp-1266421
11.564465
7.348923
-1.580011
other
Si12Bi18O52
82
1
1,165.85
mp-1354810
7.832549
5.187185
-1.771507
other
Mn6Fe10O24
40
1
439.57
mp-675472
12.713344
7.478701
0.668778
other
Al17N3O21
41
1
385.64
mp-532348
-5.745315
-4.287299
0.580175
other
Cu58Ag24As28
110
1
1,668.51
mp-758794
5.653631
11.797544
-1.798802
other
Li10Fe10O24
44
1
434.75
mp-1247548
-5.562759
-2.764465
-1.640689
other
Zr7Te8N4
19
1
484.91
mp-755035
5.786208
12.363175
-1.426462
other
Na4Ni4O10
18
1
196.53
mp-1173585
6.283568
4.957964
-4.514925
other
Na4N4O12
20
1
268.86
mp-1337931
2.001801
2.792403
-4.413366
other
Rh12S12Cl60
84
1
2,303.54
mp-762292
12.773054
13.06588
-0.780174
other
Li4V5O10
19
1
190.07
mp-763927
15.076632
12.45305
-0.792424
other
V6O7F5
18
1
205.67
mp-755145
11.80964
0.774731
-0.168411
other
Fe6O7F5
18
1
202.89
mp-674986
10.826635
10.641526
0.043693
other
La3Mo2O10
15
1
219.39
mp-28337
12.608177
9.438498
-5.389916
other
V4As2O13
19
1
209.79
mp-849482
12.254343
-0.929131
0.883966
other
Mn12O7F17
36
1
438.86
mp-1217942
-5.450933
-2.138369
-1.441858
other
Ta3Nb3Te12
18
1
495.59
mp-675724
10.147813
8.919784
-2.085486
other
Bi4Te4O16
24
1
385.37
mp-759171
11.80062
-0.554836
1.165676
other
Mn12O5F19
36
1
452.29
mp-989403
0.779905
2.30387
1.852469
other
La2V2N6
10
1
131.39
mp-760180
10.615088
0.068031
0.167303
other
Li8Mn16F56
80
1
1,010.96
mp-2348641
6.276869
13.469175
-1.315542
other
Li3Ni3O6
12
1
104.92
mp-765508
15.001251
12.405826
-0.848527
other
V3O4F2
9
1
108.66
mp-1173213
10.297162
10.222174
3.372509
other
Sr8Nb4O18
30
1
442.46
mp-1181533
8.32615
4.867069
-3.953229
other
H20Cl4O24
48
1
553.58
mp-778603
12.087941
1.188835
2.616221
other
Fe10O4F16
30
1
369.66
mp-676704
7.768866
9.165407
-1.182243
other
Yb10Ti6O27
43
1
550.27
mp-1663104
6.967858
12.376708
-1.539842
other
Tl6Co6O16
28
1
352.08
mp-626496
11.735688
4.189618
-3.775571
other
Al8H24O24
56
1
432.19
mp-504946
13.939942
6.602089
-6.659998
other
Nb4P8O30
42
1
624.15
mp-1078385
6.680463
6.152211
-3.785738
other
Sr1Zn1O5
7
1
125.44
mp-759829
11.090788
2.981377
1.094506
other
V8O4F20
32
1
413.89
mp-767633
10.875504
12.771944
1.839386
other
Li8Ti18O40
66
1
756.08
mp-774945
11.222157
12.596081
-3.689534
other
Mn1V3O8
12
1
245.96
mp-672127
-2.535097
-0.341708
-5.210801
other
Ti2P4S12
18
1
499.74
mp-867613
11.605369
12.404365
1.938432
other
Li3Ti12O24
39
1
419.04
mp-763935
15.083304
12.484341
-0.803238
other
V6O7F5
18
1
203.94
mp-861179
10.800542
10.215773
3.638311
other
Zr14V2O32
48
1
578.7
mp-850281
8.543946
12.549983
-0.312213
other
Li7Co2O6
15
1
149.4
mp-759240
12.743522
-0.060514
-0.043638
other
Mn12O14F10
36
1
397.04
mp-778825
7.942201
10.467702
-0.37262
other
Na20Mn4O18
42
1
678.63
mp-998713
1.401145
2.422199
-5.539881
other
Tl2In2Cl6
10
1
352.35
mp-998367
0.927331
2.38198
1.839054
other
Y1Re1N3
5
1
61.42
mp-759072
12.820261
-1.142285
0.703044
other
Mn12O10F14
36
1
421.8
mp-806062
7.871464
5.23945
-1.763171
other
V4Cr4O12
20
1
209.94
mp-2219314
12.924881
10.901204
-0.53737
other
Mg1Mo4O8
13
1
181.72
mp-761077
12.819643
-1.0913
0.702982
other
Mn12O10F14
36
1
418.97
mp-1338404
7.832184
5.024462
-1.454995
other
Nd4Mo31O56
91
1
1,273.76
mp-780223
12.829831
-1.137245
0.69068
other
Mn12O10F14
36
1
420.06
mp-1234733
0.515091
2.458525
1.951366
other
Mg1Co2N2
5
1
49.8
mp-690540
10.738907
10.909519
-2.560102
other
V2Bi4O11
17
1
282.17
mp-1245179
10.309227
12.636052
-1.349252
other
Cr16Fe16O48
80
1
991.23
mp-773100
6.855859
8.621423
0.459973
other
La4Bi2O10
16
1
275.47
mp-1046270
10.581749
9.505822
-0.45946
other
Zn1Sb4O8
13
1
233.14
mp-1347137
8.858358
11.363532
0.360432
other
Ca4Co4O8
16
1
214.9
mp-867053
-3.397821
-1.665812
-5.655126
other
Ca18Sn18S54
90
1
2,491.75
mp-675325
-4.002536
-1.376394
-5.521593
other
Al1Ag9S6
16
1
352.74
mp-743547
8.237932
13.288662
-1.082767
other
Zn10Fe20O40
70
1
767.94
mp-1244957
10.988144
13.017627
-0.722074
other
Cr28Fe4O48
80
1
980.47
mp-850232
5.805393
12.027267
-1.696667
other
Na4Fe8O16
28
1
347.02
mp-685291
13.76491
5.667166
-6.655393
other
Al12P12O48
72
1
1,471.33
mp-849331
1.301763
1.913879
2.744464
other
Ti16N16O8
40
1
428.8
mp-763976
10.65801
12.611301
-4.634952
other
V4O7F5
16
1
209.31
mp-1173684
6.61068
5.731276
-3.881166
other
Na6S6O9
21
1
508.85
mp-776278
1.302811
1.890335
2.742072
other
Ti16N16O8
40
1
428.03
mp-1373421
8.331274
5.716938
-1.610009
other
V4Cr4O12
20
1
210.12
mp-1223964
10.066718
9.550762
0.113218
other
In4Sn3O12
19
1
241.53
mp-763169
12.464289
12.553498
-3.939681
other
V6O9F9
24
1
293.92
mp-780800
12.716852
0.488976
0.277784
other
Fe10O11F9
30
1
347.7
mp-2228366
11.076978
12.6313
-3.554507
other
Mg1V5O12
18
1
250.22
mp-759373
6.152878
13.624603
-2.31735
other
Li4Co13O28
45
1
468.48
mp-28189
2.120618
2.878679
-4.452074
other
Fe2Se2Cl14
18
1
510.44
mp-685675
-3.144034
1.598395
2.837606
other
Li26B72O3
101
1
963.78
mp-685413
10.795544
12.156938
2.456441
other
Li26Nb26O78
130
1
1,485.47
mp-660503
9.522831
5.387193
-5.925896
other
Ag4S2O8
14
1
203.51