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-1202377
10.561102
9.55458
-1.813416
other
Zr4Te8Br4O22
38
2
714.41
mp-1212559
7.571568
2.059883
-4.293791
other
H12C12S12N12
48
2
774.91
mp-1237295
5.527005
3.195029
-4.587136
other
Bi2Os6C18O18
44
2
885.93
mp-561486
13.669688
5.550632
-6.635468
other
Na2Mg5P4O16
27
2
313.56
mp-1175403
4.217817
22.420393
-1.294759
other
Li9Mn2Co5O16
32
2
281.62
mp-1175175
6.336091
20.374619
-0.438684
other
Li7Mn4Co1O12
24
2
218
mp-800159
7.413219
4.869034
-1.677176
other
Li5Mn3Fe2O10
20
2
190.37
mp-559343
11.392186
7.393119
-6.846131
other
K2Cu8P6O24
40
2
494.24
mp-556092
10.522945
9.536087
-2.186417
other
Pr4Te8Mo2O28
42
2
711.24
mp-560904
9.406831
6.3843
-4.589456
other
Cd2Hg4S2O12
20
2
313.65
mp-557016
-0.872106
0.675643
-4.950135
other
Ta2P8S12Cl10
32
2
959.13
mp-569918
1.085831
2.573414
1.581821
other
K26Na4W14N38
82
2
1,641.66
mp-769614
12.549361
13.073205
-0.409638
other
Li8V6Cr2O16
32
2
302.8
mp-698096
10.947694
10.366765
1.562306
other
La10Fe2Re6O32
50
2
666.21
mp-1229106
7.470733
9.588927
1.377254
other
Ba10Y5Cu15O33
63
2
905.14
mp-780096
13.809352
5.408913
-2.839585
other
Li4Mn8B8O24
44
2
492.29
mp-26179
11.417021
7.988879
-8.027923
other
Li2Mn2P4O14
22
2
260.08
mp-1198330
6.988643
2.568242
-3.111377
other
Cu1C32N8F16
57
2
720.98
mp-755014
8.319626
13.484591
-0.506833
other
Li5Ti2Ni3O10
20
2
181.1
mp-2228551
8.69593
14.692432
-0.758745
other
Mg1Mn4Ni1O8
14
2
156.17
mp-1272475
6.460498
10.311571
0.788676
other
Ca4La8Fe4O24
40
2
551.43
mp-1220231
-3.892081
-1.181403
-5.642679
other
Ni1Ag2Sn3S8
14
2
355.45
mp-759051
6.20054
13.621424
-2.325935
other
Li2Fe1Co9O20
32
2
346.84
mp-1192608
4.809708
2.703021
-3.443227
other
Cd1C12S4N6
23
2
551.02
mp-1234347
11.098987
9.292626
-7.018366
other
Mg1V4P4O20
29
2
345.85
mp-1041677
14.002305
7.040205
-5.472119
other
Mg2Sn2P4O14
22
2
276.78
mp-16056
11.775843
7.298293
-0.490725
other
Ho2Cu1Ge4O12
19
2
258.01
mp-1197406
7.34493
5.036829
-5.21
other
K6U2C10O34
52
2
890.35
mp-1200606
10.552327
3.981353
-4.464163
other
Mg2H20S2O18
42
2
374.53
mp-559441
13.912282
6.423028
-6.690314
other
Li4Ti4P4O20
32
2
342.38
mp-1283096
11.543396
13.09993
-1.846464
other
Ca2V8Co6O24
40
2
414.9
mp-759597
10.695696
13.827184
-0.33156
other
Li12Ti3Cr15O36
66
2
705.24
mp-1175687
3.971565
22.847687
-1.375539
other
Li9Mn2Co5O16
32
2
281.38
mp-1210140
12.437497
5.860415
-6.376244
other
Na4P4H4O12
24
2
388.03
mp-1181060
9.191223
9.782157
-3.652571
other
K10Mo12I2O58
82
2
1,388.31
mp-2219404
2.285475
2.870096
-4.475084
other
Mg1Mo2Cl8O2
13
2
355.38
mp-801341
7.583512
4.478571
-1.593396
other
Li4Mn4O4F8
20
2
220.74
mp-1203837
8.998313
7.693744
-5.475571
other
Ni1Ag4P6O24
35
2
493.75
mp-1201226
11.126779
4.66246
-4.770461
other
Zn4P4H20O22
50
2
573.26
mp-1290836
9.41921
11.765969
0.320424
other
K4Li2Mn4O8
18
2
275.56
mp-2228664
13.958511
8.903951
-4.883639
other
Mg1Mo2P2O10
15
2
186.74
mp-1043066
10.605568
12.258346
2.148717
other
Ca3Ta6Fe4O24
37
2
554
mp-769555
6.628437
14.075008
-1.372883
other
Li10Co3Ni7O20
40
2
327.51
mp-705432
12.422425
7.449112
-7.413765
other
Li12Ni10P16O56
94
2
1,049.6
mp-1211137
10.909521
11.323981
-2.111124
other
Li2Nd2W4O16
24
2
324.9
mp-1194301
13.756346
4.624596
-2.614812
other
Li6Cu2B6O14
28
2
288.81
mp-554014
11.670001
7.09785
-1.86968
other
Li2Cu5Si4O14
25
2
282.88
mp-757734
14.703422
8.057764
-4.20279
other
Li4Nb4P4O20
32
2
389.28
mp-1175799
3.851705
23.195736
-1.347555
other
Li9Mn2Co5O16
32
2
289.28
mp-769569
5.934149
12.97856
-1.533356
other
Li6Mg1Ni7O16
30
2
271.39
mp-757490
14.068983
7.160184
-5.340668
other
Li4Sn4P4O16
28
2
411.85
mp-560879
4.936207
2.895391
-3.933105
other
C4S8N12Cl12
36
2
846.65
mp-2228901
6.177231
12.428265
-1.427371
other
Mg1Zn2Ni3O8
14
2
144.99
mp-1190682
-1.11336
1.509684
-1.706043
other
Cs2Pr6C2I12
22
2
905.85
mp-1179287
6.896011
6.174653
-3.803275
other
Te2I2N2O20
26
2
654.15
mp-1196860
7.699459
9.638205
-3.70256
other
K2Cr6Bi2O24
34
2
554.34
mp-725970
9.976355
7.222075
-1.982433
other
Na2Zr2Si4O14
22
2
313.13
mp-640389
-2.511589
-0.612893
-5.267819
other
Cs8Th4P12S36
60
2
1,727.3
mp-752862
6.122338
15.97121
-1.485845
other
Li5Co2Cu3O10
20
2
177.63
mp-1196354
11.677017
5.047774
-4.889549
other
Mn10H16S2O24
52
2
550.5
mp-1277771
11.203383
10.185749
2.4428
other
La4Ti2Cr2O12
20
2
252.26
mp-1342565
14.344665
8.304381
-3.878436
other
Mg2P4W2O14
22
2
285.43
mp-2233531
12.281669
11.233505
0.411247
other
Na4Mg1V2O6
13
2
147.58
mp-1177852
7.979907
16.4223
-0.572801
other
Li3Mn3Fe1O8
15
2
151.08
mp-1347973
7.935777
5.669657
-1.65663
other
Li5V3Ni2O10
20
2
188.03
mp-1192074
6.149868
3.872196
-4.360045
other
Cu2C6N4O10
22
2
431.86
mp-567940
-1.095616
1.389597
-1.690741
other
Rb1Pr6C2I12
21
2
861.09
mp-1174543
3.957994
23.19352
-1.231687
other
Li7Mn2Co3O12
24
2
215.66
mp-729046
13.853453
7.424673
-6.715609
other
Mn7P6H4O24
41
2
448.61
mp-1347472
14.211622
8.547503
-3.479508
other
Zn2P4W2O14
22
2
289.91
mp-759696
12.362464
6.825665
-6.737837
other
Li2Bi3P9O28
42
2
580.66
mp-766855
10.429312
3.403179
-3.841284
other
Ba2H18I2O10
32
2
407.41
mp-740750
12.186262
5.086937
-5.377893
other
Na8P8H12O30
58
2
725.66
mp-2232114
10.223638
13.036366
-0.317507
other
Mg1Mn4Fe2O8
15
2
175.9
mp-1174421
3.937721
23.053501
-1.294108
other
Li8Mn2Co4O14
28
2
251.96
mp-1375244
7.996484
5.395405
-1.439211
other
Li8V2Cr6O16
32
2
298.32
mp-707735
10.05234
3.347751
-3.810667
other
Mg1H12I8O6
27
2
565.92
mp-697772
12.412991
8.809928
-7.844851
other
Li6V4P10O36
56
2
631
mp-1279644
11.206011
10.183049
2.445329
other
La4Ti2Cr2O12
20
2
252.48
mp-25809
14.698464
7.961672
-5.36342
other
Li6Fe9P8O32
55
2
633.3
mp-863429
10.200182
4.491423
-4.302282
other
Cu2H20Se2O18
42
2
387.59
mp-605691
12.206594
5.14639
-5.177678
other
La4P6H14O22
46
2
563.39
mp-26921
12.145705
7.537784
-7.22368
other
Li2Ni5P4O16
27
2
295.66
mp-1190199
10.687802
9.022185
-1.891896
other
Cu1Sb6S2O16
25
2
386.17
mp-755944
6.672341
14.084788
-1.45728
other
Li3Fe2Co2O8
15
2
136.18
mp-1229013
6.045425
11.32795
0.489696
other
Ba4Pr6Co10O30
50
2
598.88
mp-1233704
11.089763
9.301621
-7.056834
other
Mg1V4P4O20
29
2
344.19
mp-1101197
12.126549
8.320877
-6.845737
other
V4P4H4O20
32
2
336.78
mp-1104648
7.637213
7.544937
-3.952328
other
Na2Cu1Se2O10
15
2
221.17
mp-1395344
7.143942
7.375409
-1.850085
other
Li4Mn1Co3O8
16
2
148.06
mp-555967
0.624921
1.708243
-4.899378
other
Ta2P8S8Cl10
28
2
873.49
mp-761257
10.223475
2.025856
2.225127
other
Li4Fe8O2F16
30
2
412.74
mp-1020627
2.462587
2.084288
1.727065
other
Sr4Li4Al12N16
36
2
423.13
mp-1193134
11.692394
11.333438
-3.779254
other
Gd4Mo4Br4O16
28
2
524.46
mp-1189850
7.935793
0.753667
-4.357543
other
H12C4Se2O2
20
2
245.99
mp-1174047
3.692085
22.946819
-1.266811
other
Li6Mn2Co2O10
20
2
183.19
mp-1640620
6.832807
14.115902
-1.678506
other
Li8Ti2Co10O24
44
2
435.73
mp-1317444
9.651247
14.234496
-0.159259
other
Li6Mn4Sn2O12
24
2
249.93
mp-1218693
10.893709
11.599478
-2.912901
other
Sr4V6Bi6O28
44
2
680.78
mp-753231
12.885974
8.27928
0.465909
other
Li2V4O3F8
17
2
209.41