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-782053
1.052144
1.564406
-5.09978
other
Sr18La10Cl66
94
2
2,492.16
mp-1045916
8.104802
10.938138
-0.42119
other
Zn4Cu4O8
16
2
196.1
mp-557144
7.849247
10.076518
-3.800773
other
Rb4Cr4O14
22
2
385.52
mp-1280547
8.408375
13.852858
-0.978713
other
Li8Cr4O12
24
2
211.98
mp-1284950
6.715081
11.3637
0.98942
other
La4Ni4O12
20
2
232.95
mp-530384
11.255879
12.87828
0.029973
other
Ti10Fe14O36
60
2
622.75
mp-18313
12.669414
6.313403
-0.285798
other
Sr6Si6O18
30
2
425.61
mp-755349
9.417111
0.905351
-0.678996
other
Cu6O2F10
18
2
207.28
mp-1247522
0.803231
2.317001
1.812616
other
Ca6Os6N10
22
2
314.21
mp-1182536
6.872054
6.198569
-3.993024
other
Ca6As4O38
48
2
792.92
mp-1247371
0.124989
2.584057
1.88376
other
Fe8Ir2N8
18
2
172.44
mp-1100514
7.194541
19.415812
-0.130334
other
Li9Mn7O16
32
2
297.55
mp-1179874
6.473079
5.808687
-4.172648
other
Pt1N2O6
9
2
125.41
mp-1197896
9.141045
7.567315
-3.292683
other
Ni6Se6O20
32
2
447.23
mp-626827
10.147687
4.724724
-4.255622
other
Fe4H14O13
31
2
233.02
mp-562263
8.865953
8.299651
-0.367099
other
Cs8Pb4O8
20
2
578.13
mp-1246504
1.41808
1.809532
1.442691
other
Ca8Os2N8
18
2
278.63
mp-1213086
8.368932
2.256966
-0.354762
other
Mn1Sn3F6
10
2
2,307.61
mp-1221411
5.826115
12.109983
-1.72768
other
Na1Fe2O4
7
2
87.63
mp-7118
9.437466
8.392496
-0.046969
other
Rb8Sn2O8
18
2
407.77
mp-685373
9.568894
8.718312
-0.550341
other
Bi28Mo2O48
78
2
1,312.62
mp-987399
10.029722
9.646049
1.82879
other
Sc6Re1O12
19
2
271.84
mp-768989
12.60992
5.76584
-2.431198
other
Bi4B4O14
22
2
336.86
mp-1194687
-6.209943
-4.856387
0.023742
other
Bi52Pt12I28
92
2
3,294.1
mp-1346325
8.308542
4.900198
-1.624907
other
V8O12F4
24
2
264.73
mp-753344
7.906471
12.66349
-0.909522
other
Li2Ni12O14
28
2
245.82
mp-1193720
8.357162
7.007526
-3.164844
other
Pb8S2O16
26
2
482.53
mp-28866
1.9338
2.748336
-4.545728
other
Te2Os1Cl12
15
2
428.69
mp-532198
12.600235
7.557383
0.65589
other
La2Al44O68
114
2
1,261.03
mp-1639032
7.017482
19.601093
-0.196374
other
Li14Mn10O24
48
2
442.26
mp-759786
10.594779
12.355558
2.241366
other
Na8Ti28O60
96
2
1,226.92
mp-14726
10.094038
9.682177
0.7855
other
Na8Ti2O8
18
2
249.27
mp-765608
8.285304
14.77845
-1.015343
other
Na7Mn11O24
42
2
490.96
mp-1237300
8.338942
1.968656
0.222982
other
Cr1Hg3F6
10
2
227.28
mp-540138
12.090694
9.024144
-5.549776
other
Mo4P4O20
28
2
380.26
mp-530358
12.602852
7.54828
0.662933
other
Pr2Al44O68
114
2
1,258.39
mp-558870
13.912964
8.048854
-6.275356
other
P6Ru2O18
26
2
360.16
mp-568922
-1.026825
1.024959
-1.757425
other
Ce14C6I20
40
2
1,369.76
mp-1406521
7.784733
10.100052
0.616858
other
Ca4Cu4O8
16
2
213.7
mp-1174257
4.11966
19.598021
-1.820279
other
Li8Co6O14
28
2
250.24
mp-2970
10.815195
8.052329
-0.239351
other
Na8Ge2O8
18
2
240.61
mp-1410296
9.79247
2.634482
1.71455
other
V2Zn2F8
12
2
157.91
mp-541682
-4.585283
-5.511288
0.486295
other
K24Al8As16
48
2
1,516.91
mp-676564
10.001908
8.731248
3.30678
other
Nd1Th9O20
30
2
439.54
mp-558592
10.768684
9.281127
-0.671304
other
Sb32Br8O44
84
2
1,558.39
mp-1209968
1.159858
1.765283
-5.224831
other
Na2Ho2Cl8
12
2
299.01
mp-852643
8.759938
9.808596
-3.232394
other
Cu6Re6O24
36
2
477.79
mp-1190686
8.804338
7.69276
-5.063712
other
Hg4P4O16
24
2
337.78
mp-541352
-2.478892
-0.876245
-4.515646
other
P16S12I8
36
2
1,137.32
mp-540270
13.585563
8.764696
-5.683443
other
Mo2P4O14
20
2
273.55
mp-1367720
7.361811
5.424631
-2.097815
other
Mo8N4O30
42
2
717.74
mp-540792
-3.348746
-0.976717
-5.442587
other
Ge8S12Br8
28
2
865.29
mp-744682
7.774367
9.888652
-3.599481
other
Cr16Bi8O58
82
2
1,261.99
mp-1225719
-7.425596
-1.491106
6.120487
other
Er6Al8Fe4
18
2
331.72
mp-504747
10.083476
12.082021
-3.940634
other
V2Cu3O8
13
2
169.12
mp-1202374
7.771717
6.608942
-4.436319
other
Mn2B8O32
42
2
559.34
mp-647680
13.482302
7.374125
-1.390288
other
Mn10Si10O30
50
2
626.63
mp-753806
13.890906
6.134425
-2.459591
other
B2Sb2O6
10
2
155.73
mp-1786455
9.241229
0.642633
0.069367
other
Ca2Cu2F10
14
2
194.33
mp-26646
9.099173
7.860232
-5.710632
other
Co4P8O28
40
2
571.12
mp-1103953
10.033419
12.313565
1.540051
other
Nb2Cu3O8
13
2
158.91
mp-867599
9.518273
0.635941
-0.340335
other
Li4Cu6F18
28
2
339.31
mp-861145
9.861052
8.358118
3.050002
other
Sm27Y5O48
80
2
1,315.1
mp-752465
9.916912
2.445013
1.611185
other
Li2V2F8
12
2
164.37
mp-1174248
7.087704
19.625126
-0.148448
other
Li8Mn6O14
28
2
258.95
mp-1175440
4.172953
19.546185
-1.825277
other
Li9Co7O16
32
2
284.14
mp-1190423
9.021306
6.807405
-3.695774
other
Na4Se4O14
22
2
304.66
mp-8378
-3.534913
-1.632463
-5.430741
other
Tl6Sb2S8
16
2
464.34
mp-1200009
6.479483
6.431542
-3.813554
other
Yb2Cl6O26
34
2
520.45
mp-697733
9.426414
7.92933
-5.932703
other
Fe4P8O28
40
2
572.99
mp-1390662
8.111817
2.439874
-1.028655
other
Sb4Xe2F28
34
2
579
mp-767365
13.886833
7.06326
-5.829546
other
Sn4P16O44
64
2
986.8
mp-25958
13.138817
7.965853
-8.054195
other
Mn8P6O24
38
2
522.1
mp-33444
5.885261
8.628277
-0.372706
other
Sr5Bi3O12
20
2
311.08
mp-1340071
7.905468
5.822197
-1.993975
other
Li5Co5O10
20
2
167.51
mp-1190591
7.677025
7.797278
-3.892512
other
Cd1As4O16
21
2
350.07
mp-757280
11.585236
7.787038
-2.730971
other
Ba4As12O22
38
2
643.33
mp-1101736
11.111919
12.588094
-0.211257
other
Li1Fe3O4
8
2
78.91
mp-1211672
6.350989
5.619453
-4.645163
other
Nd6N8O33
47
2
782.5
mp-23397
2.309674
2.574528
-4.449758
other
Mo2P2Cl18
22
2
587.84
mp-18639
12.194918
6.681463
0.417726
other
La8Si8O28
44
2
601.07
mp-1232120
-2.756927
-2.496449
-5.788545
other
Mg4Sc8S16
28
2
680.23
mp-554852
10.451606
9.33058
-1.989012
other
Y4Te10O26
40
2
615.32
mp-1193561
8.474922
8.207438
-2.462044
other
Al3Si2O10
15
2
155.52
mp-669325
1.99897
2.854033
-4.480527
other
Te2W2Cl18
22
2
635.49
mp-1237566
8.502135
0.758794
1.03753
other
Rb3Cr1F6
10
2
321.38
mp-531333
8.531125
12.528815
-1.351967
other
Co18Ru6O32
56
2
622.55
mp-777401
9.877043
15.002858
-1.406697
other
Mn6O8F4
18
2
196.15
mp-510445
-6.842237
-1.530675
1.62886
other
Ni20Sn10P6
36
2
514.81
mp-1333889
6.726206
4.513329
-4.578764
other
Rh16C40O38
94
2
1,573.43
mp-1246149
1.980775
2.001968
1.201141
other
Ca8S2N8
18
2
299.95
mp-1192722
-5.29873
-2.12871
-2.309842
other
Te14Ru2I12
28
2
1,081.64
mp-558603
13.348486
6.223587
-0.56304
other
K4Si8O18
30
2
472.89
mp-530585
7.443995
11.980588
2.045153
other
La14Mn16O48
78
2
960.77
mp-27472
8.319299
2.028333
-0.518441
other
Nb2Sb2F20
24
2
357.34
mp-850206
15.129757
12.584112
-0.844377
other
V6O8F4
18
2
201.77
mp-1217721
-7.387121
-1.71841
6.177256
other
Tb6Al8Fe4
18
2
344.32
mp-1192824
1.700974
2.556361
-4.523463
other
K2Nb4Cl22
28
2
807.31
mp-1246840
1.344317
1.788373
1.370818
other
Ba8Mn2N8
18
2
431.9
mp-540553
8.246814
2.28625
-1.089932
other
Te7O6F30
43
2
676.47