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-676391
-1.2431
2.860188
-3.033612
other
Rb4Ag16I20
40
1
1,733.03
mp-1343548
6.769493
10.138441
-2.123254
other
Mg2Ni8O18
28
1
361.27
mp-673460
8.369183
4.613092
-3.324515
other
H36Br4O16
56
1
584.94
mp-2218986
10.221731
13.649789
-1.272363
other
Mg1Cr4O8
13
1
133.39
mp-773201
7.501813
10.057169
-3.78732
other
Cr12Fe7O48
67
1
892.14
mp-764537
8.306901
14.830765
-0.979527
other
Na9Mn15O32
56
1
656.98
mp-1247813
-2.171654
-8.243774
1.244729
other
Al1Ag7Se5
13
1
19,406.77
mp-760051
11.493774
-0.383843
0.67365
other
Mn12O4F24
40
1
513.84
mp-705870
7.568142
11.871385
2.138846
other
La17Mn17O54
88
1
1,089.47
mp-1040979
6.247679
12.590203
-1.394164
other
Zn6Ni12O24
42
1
432.62
mp-781710
12.137872
11.04572
3.379077
other
Nb8N8O8
24
1
267.28
mp-1387639
7.34097
4.66186
-1.610272
other
V2Co1O6
9
1
102.04
mp-755290
15.124984
12.601992
-0.849957
other
V6O8F4
18
1
201.12
mp-626572
10.785038
11.038117
-3.003877
other
H4W4O14
22
1
294.34
mp-689834
8.737885
7.858284
-5.194519
other
Ni4P8O28
40
1
574.06
mp-764924
11.066523
0.330332
1.699314
other
Mn12O2F22
36
1
475.31
mp-676863
-5.28243
-2.705252
-4.221552
other
Cu28P4Se24
56
1
1,043.84
mp-1365117
12.802359
8.923644
-7.420164
other
V4P8O28
40
1
553.89
mp-758449
7.5318
11.953845
2.099073
other
La9Mn10O30
49
1
605.62
mp-771579
12.139434
11.604494
-0.803693
other
Li7W5O16
28
1
316.02
mp-1177787
9.8375
1.800753
0.707179
other
Li12V6F36
54
1
656.32
mp-770849
12.390832
12.711865
-0.591824
other
V4Cr4O12
20
1
198.98
mp-675831
8.442545
1.510046
0.976085
other
Bi2Pb3F12
17
1
279.03
mp-626267
10.417186
3.730123
-4.123571
other
Ca2H32O20
54
1
468.23
mp-775820
1.308354
1.874485
2.749722
other
Ti16N16O8
40
1
428.25
mp-1226592
10.403713
9.782363
3.934858
other
Ce1Zr3O8
12
1
154.97
mp-626553
10.429281
3.744334
-4.146251
other
Ca2H32O20
54
1
440.36
mp-1444696
11.952929
11.958394
0.128808
other
Zn4Cr4O8
16
1
188.88
mp-685183
11.604365
12.73389
0.337287
other
Ti9Fe11O30
50
1
540.58
mp-644369
7.687277
6.04103
-3.11943
other
Ba2Bi2O6
10
1
194.22
mp-764930
7.818498
13.256186
-1.312289
other
Sr2Fe23O38
63
1
713.1
mp-777370
8.606412
15.178631
-1.658762
other
Mn8O13F3
24
1
246.25
mp-1245083
10.918359
12.730155
-0.965956
other
Cr24Fe8O48
80
1
998.7
mp-760832
12.44271
11.947211
1.838593
other
Li9Ti18O36
63
1
721.21
mp-939867
7.98344
4.154413
-1.319472
other
Ca10Yb5F35
50
1
634.05
mp-675747
-5.380651
-1.605109
-3.213238
other
V1Fe2Se4
7
1
131.96
mp-752624
12.95874
0.776909
1.993599
other
Fe6O4F8
18
1
214.82
mp-779974
1.68271
1.805227
2.927418
other
Hf16N16O8
40
1
502.34
mp-850739
11.850556
1.329703
2.670282
other
Fe6O2F10
18
1
225.19
mp-2227842
7.688741
8.896377
-0.885322
other
Mg1Bi4O8
13
1
220.56
mp-761147
10.474418
0.210906
0.345411
other
Li6Mn4F18
28
1
384.57
mp-1179668
3.548093
3.233956
-3.896898
other
Ru1I2N6
9
1
149.87
mp-1178379
10.920086
1.809845
2.501232
other
Fe10O1F19
30
1
381.75
mp-756716
5.182495
11.595863
-2.333405
other
Fe6O10F2
18
1
194.08
mp-780060
1.687662
1.803038
2.914948
other
Hf16N16O8
40
1
502.65
mp-754738
6.177348
13.100954
-2.809087
other
Co8O12F4
24
1
228.08
mp-849287
13.225091
13.238964
-1.850206
other
V6O10F2
18
1
194.1
mp-1279763
5.764381
10.139111
-1.875815
other
Na8Fe2O10
20
1
255.68
mp-1281162
8.543009
10.635844
-2.736718
other
Ba6Cr4O16
26
1
427.5
mp-722623
3.353841
-0.602433
-2.040127
other
Li66Be24H35
125
1
1,450.83
mp-685863
12.551808
7.63575
-0.855141
other
Li24Si6O24
54
1
533.32
mp-1399005
12.960965
10.445169
-0.048335
other
Mg2W4O10
16
1
210.72
mp-1101137
13.666815
5.610004
-6.817379
other
Th4P5O23
32
1
512.89
mp-780434
12.702087
0.492434
0.245183
other
Fe10O11F9
30
1
346.27
mp-1180405
6.806429
5.996323
-3.93429
other
Mg1S1O9
11
1
168.54
mp-705409
10.045184
8.231756
-6.510098
other
Cr9P12O48
69
1
894.62
mp-787744
7.576122
4.927341
-1.716298
other
Zr16N16O8
40
1
538.31
mp-1100994
-5.381469
-2.964546
-4.553469
other
Tl1Cu7Se4
12
1
218.17
mp-780797
12.71735
0.46148
0.237687
other
Fe10O11F9
30
1
342.76
mp-1221486
8.791038
14.712591
-0.754411
other
Mn5In3O12
20
1
223.43
mp-707160
8.152249
2.518757
-1.460801
other
H4N4F8
16
1
262.12
mp-777741
12.738791
0.477143
0.258954
other
Fe10O11F9
30
1
344.52
mp-759616
11.79163
-0.528802
1.175476
other
Mn12O5F19
36
1
450
mp-30535
3.413923
-0.643106
-2.30282
other
Li12Be6H24
42
1
400.06
mp-777587
12.817534
0.872989
2.203702
other
Fe10O6F14
30
1
361.1
mp-1179677
2.738652
2.976891
-4.681262
other
Re2Cl5O4
11
1
268.87
mp-1402504
7.590249
5.194035
-1.83991
other
Li7Co2O6
15
1
167.5
mp-1040970
6.671159
12.459592
-1.181197
other
Ca6Ni12O24
42
1
488.94
mp-1228580
11.586953
7.78251
-2.725767
other
Ba2As6O11
19
1
320.91
mp-685265
-2.731242
-2.786993
-5.547756
other
Nd24Mn4S40
68
1
1,564.96
mp-1228099
8.957832
0.957531
1.469552
other
Ba6Al6F30
42
1
591.44
mp-621945
11.632207
7.434353
0.250251
other
La4Ge4O14
22
1
314.08
mp-1198776
6.321798
2.202371
-3.269106
other
H12C24N36
72
1
898.26
mp-1389506
8.333321
4.361567
-1.129243
other
V4O3F9
16
1
214.6
mp-775799
1.685294
1.804816
2.93897
other
Hf16N16O8
40
1
502.34
mp-1101533
8.301243
7.915627
-4.546265
other
Ni9P12O48
69
1
952.75
mp-760945
12.905856
-0.826998
0.34972
other
Mn8O8F8
24
1
268.59
mp-2215221
11.832874
13.359606
-2.228002
other
Ti3V5O16
24
1
276.32
mp-1178108
5.951994
12.386489
-1.67469
other
Li2Fe4O8
14
1
147.46
mp-757274
10.001292
9.151077
-0.523098
other
Bi17W3O34
54
1
869.85
mp-1182949
11.599319
4.153277
-3.902441
other
Al2H6O6
14
1
108.57
mp-530557
11.489978
12.896553
0.717798
other
Ti10Mn20O40
70
1
823.95
mp-776963
11.083431
0.298585
1.682716
other
Mn12O2F22
36
1
473.29
mp-1235094
11.144917
12.470614
1.954882
other
Li1Ti8O16
25
1
275.1
mp-779894
11.758739
0.804287
-0.119378
other
Fe6O7F5
18
1
209.11
mp-698666
12.600797
12.188098
-0.416056
other
Li16Mo8O24
48
1
474.52
mp-1225718
-2.854326
-2.477919
-5.906307
other
Dy12Si5S28
45
1
950.2
mp-782635
5.972522
12.430908
-2.425757
other
Fe6O8F4
18
1
201.82
mp-562987
11.105136
12.357522
-3.606726
other
V1Cu1O3
5
1
80.04
mp-779719
7.151125
18.746885
-0.38397
other
Li12Mn10O24
46
1
435.92
mp-757023
12.398335
12.686641
-0.597689
other
V4Cr4O12
20
1
199.08
mp-1408617
7.350585
4.576706
-1.53627
other
V2Ni1O6
9
1
101.8
mp-694952
10.26801
13.207331
-0.574006
other
Ti5Fe11O24
40
1
431.53
mp-1100962
-5.208479
-0.036639
-4.22712
other
V8Fe4S16
28
1
406.18
mp-759246
6.428802
14.250136
-1.809005
other
Li3Co4O8
15
1
138.88
mp-1204888
8.559101
7.045772
-5.194151
other
Al6P6O36
48
1
819.08
mp-1410541
10.107995
0.457
0.487306
other
Li4Fe2F10
16
1
180.56
mp-779864
1.674072
1.804524
2.956875
other
Hf16N16O8
40
1
502.06
mp-1102432
8.501496
8.189576
-4.268767
other
Cu3As1O7
11
1
146.42
mp-1291748
8.727982
14.583777
-0.2963
other
Ca4Mn8O16
28
1
354.58