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-795950
7.318095
5.111361
-2.036566
other
Mo2H4O8
14
1
164.96
mp-685490
10.784753
9.284783
3.605477
other
Hf15Sc20O60
95
1
1,124.84
mp-2216729
10.717084
12.755059
2.310957
other
Ti6H4O14
24
1
287.36
mp-760821
8.4571
15.268232
-0.497531
other
Li6Mn8O16
30
1
289.84
mp-2220732
6.289782
13.528279
-2.388672
other
Mg1Co8O16
25
1
278.43
mp-1191944
8.802094
5.304833
-5.580436
other
S4I2O15
21
1
308.33
mp-676348
-3.85722
-1.104953
-5.482716
other
Nb1Ag7S6
14
1
320.2
mp-766237
9.975342
8.473847
3.128574
other
Gd3Y13O24
40
1
603.16
mp-685434
8.181349
13.410925
-0.696258
other
Mg16Fe16O40
72
1
791.75
mp-755079
12.057163
3.085393
0.93243
other
V4O3F9
16
1
196.64
mp-764087
12.523892
12.543306
-3.910028
other
V6O9F9
24
1
293.96
mp-675921
8.547312
2.119836
2.246312
other
Ce3N1F6
10
1
149.64
mp-1236363
8.959755
13.431804
-1.004949
other
Li1Fe8O12
21
1
215.73
mp-626315
10.428061
3.761662
-4.11544
other
Sr2H32O20
54
1
460.68
mp-762590
8.028442
4.435103
-6.975516
other
Mn4C6O18
28
1
377.35
mp-674942
6.350806
5.459231
-4.414624
other
Na3N2O9
14
1
224.3
mp-850520
12.225983
-0.928159
0.876904
other
Mn12O7F17
36
1
441.58
mp-776392
5.796399
12.257159
-1.422077
other
Na4Ni6O14
24
1
274.06
mp-30187
10.472309
9.315664
-2.04825
other
Ga2Te4O11
17
1
250.03
mp-1175376
4.53185
19.068335
-1.799736
other
Li9Co7O16
32
1
278.46
mp-757370
10.296803
13.190146
-0.572429
other
Ti5Fe11O24
40
1
429.62
mp-2219448
12.422578
11.781151
1.9339
other
Mg1Ti4O8
13
1
135.18
mp-698705
8.58199
14.991842
-1.046737
other
Li4Mn13O24
41
1
453.61
mp-676617
10.201733
8.785374
-0.244684
other
Ba5Bi14O21
40
1
794.11
mp-1379702
12.772985
12.206378
-0.57836
other
V4Zn4O8
16
1
190.12
mp-776365
8.555172
15.05003
-0.881058
other
Li9Mn21O40
70
1
755.47
mp-779739
1.685327
1.806208
2.946245
other
Hf16N16O8
40
1
502.5
mp-775821
1.309929
1.874086
2.750587
other
Ti16N16O8
40
1
427.75
mp-676411
11.073703
9.077347
2.037867
other
Sr9U9O34
52
1
781.39
mp-675683
-5.663059
-3.617906
-2.014401
other
Yb3Sb14Te24
41
1
1,426.88
mp-530379
10.243813
9.722726
3.31401
other
Tb16Ti8O40
64
1
869.07
mp-753891
10.561013
11.488508
3.063672
other
Zr4Ti4O16
24
1
280.01
mp-1100951
-4.305852
-2.274359
-3.354639
other
V1Fe2Se4
7
1
593.12
mp-673678
9.15714
8.714051
1.617391
other
Ba2In2O5
9
1
159.93
mp-780481
11.808327
-0.540265
1.169636
other
Mn12O5F19
36
1
454.84
mp-764701
9.952469
13.679527
0.184356
other
Li8Mn5O10
23
1
232.23
mp-758028
10.996148
13.098293
-3.366331
other
Ca6V20O50
76
1
1,024.72
mp-760306
11.809134
-0.516574
1.183591
other
Mn12O5F19
36
1
454.15
mp-780763
11.403935
2.962564
1.317399
other
V8O4F20
32
1
394.5
mp-1220915
8.564664
1.248017
1.888056
other
Na3Sm3F12
18
1
227.25
mp-2232190
12.018157
11.377275
2.288562
other
Mg1Nb4O10
15
1
185.33
mp-1235496
6.653902
6.072996
-3.693929
other
Sr2Li1O12
15
1
216.29
mp-1275592
12.556787
13.320724
-1.179468
other
Li4V10O20
34
1
384.99
mp-759257
12.75049
-0.030529
-0.038418
other
Mn12O14F10
36
1
401.52
mp-763427
10.653413
12.66993
-4.649656
other
V4O7F5
16
1
207.76
mp-675214
8.324101
1.410083
0.904485
other
Rb2Bi3F11
16
1
302.48
mp-625841
10.500484
3.703969
-4.117136
other
Sr2H32O20
54
1
464.73
mp-768357
10.588656
12.25143
2.311964
other
Ba2Ti11O24
37
1
466.23
mp-1303638
10.617278
2.755087
1.465856
other
V4O1F11
16
1
218.17
mp-675779
-5.80655
1.374534
-5.037136
other
Li4Mo6S8
18
1
295.81
mp-1182247
10.668412
5.731169
-4.313581
other
Fe16H20O34
70
1
697.24
mp-754860
10.712968
0.723839
-0.938451
other
Co10O5F15
30
1
349.69
mp-675426
8.403259
1.255537
1.819825
other
Ba3Pr1F9
13
1
235.8
mp-777793
10.497541
2.231479
-0.204899
other
V6O5F19
30
1
440.55
mp-675030
10.018453
13.065314
0.102106
other
Ti8Ni8O24
40
1
414.19
mp-551451
9.174854
10.762827
-1.169934
other
Fe1Bi1O3
5
1
132.01
mp-1380123
8.372637
13.055405
-0.66753
other
Ca6Fe12O24
42
1
526.48
mp-754683
10.018518
12.124356
-4.665257
other
V6O12F6
24
1
300.81
mp-1223696
-1.213474
2.401398
-3.002452
other
In2I4Br2
8
1
318.27
mp-863411
9.947738
12.426506
-4.108979
other
V18Ag7O48
73
1
970.93
mp-626291
10.440444
3.732578
-4.140305
other
Ca2H32O20
54
1
438.94
mp-686587
-3.557035
-2.020996
-4.884019
other
Yb18Fe12S40
70
1
1,735.35
mp-762932
6.076715
13.0779
-1.394791
other
Li4Ni5O10
19
1
181.88
mp-2217655
8.061728
9.146046
-3.355325
other
Mg1Ru2O8
11
1
217.29
mp-849606
10.09637
1.141543
0.299311
other
Cr8O2F22
32
1
401.24
mp-1288387
11.393063
7.968212
-4.651164
other
Co4As4O14
22
1
258.08
mp-759319
5.247234
10.965182
-2.197777
other
Li6Fe10O24
40
1
429.41
mp-1224818
-7.173751
-3.563381
4.343664
other
Hf12Ga15Ni9
36
1
579.21
mp-626014
8.960191
5.112828
-4.075876
other
H20I4O24
48
1
474.55
mp-1233473
6.420049
13.408847
-2.335572
other
Ca1Co8O16
25
1
301.14
mp-690538
10.161834
8.233045
-4.781741
other
Co9As6O24
39
1
492.86
mp-698627
10.327073
13.18654
-0.568822
other
Ti5Fe11O24
40
1
432.71
mp-779538
5.491369
12.279887
-2.452786
other
Fe10O14F6
30
1
332.54
mp-755806
5.181013
10.798925
-2.179789
other
Li3Fe5O12
20
1
197.02
mp-1173689
8.77593
9.789557
-0.057129
other
Na8Pt1O6
15
1
217.05
mp-1221406
8.586309
0.905991
0.83683
other
Na3Eu3F12
18
1
249.6
mp-755729
11.897629
0.745491
-0.139611
other
Fe6O7F5
18
1
204.32
mp-625860
10.488513
3.694349
-4.114406
other
Sr2H32O20
54
1
465.35
mp-766404
7.013627
9.757886
0.685289
other
Ba8Cu8O19
35
1
536.25
mp-2215234
11.61568
12.582694
-3.356527
other
V5Fe1O12
18
1
258.01
mp-2219818
12.472419
11.549951
1.924601
other
Mg1Ti4O8
13
1
159.1
mp-1100873
-4.333717
-3.921576
-3.9609
other
Y2Ag2Se4
8
1
199.28
mp-850940
11.808589
-0.542674
1.170986
other
Mn12O5F19
36
1
455.99
mp-766445
8.67117
14.538181
-1.133446
other
Mn8Co4O16
28
1
314.22
mp-1367192
10.361523
9.671452
-0.613396
other
Zn2Sb4O10
16
1
271.96
mp-26060
9.81069
8.261617
-6.70192
other
Mn9P12O48
69
1
845.81
mp-674464
10.541285
13.124543
-0.47755
other
Ti4Fe8O18
30
1
321.5
mp-780867
8.599299
15.189815
-1.605246
other
Mn8O13F3
24
1
247.8
mp-584116
10.588024
7.481277
-4.094042
other
Bi3P2O10
15
1
232.6
mp-850021
8.658737
13.187854
-1.285905
other
Na2Fe22O34
58
1
743.38
mp-685295
10.632157
10.167678
3.173965
other
Sr22Nb10O47
79
1
1,353.26
mp-780624
10.493723
2.253744
-0.201987
other
V6O5F19
30
1
422.16
mp-1247867
10.193433
10.753394
1.134103
other
Ba22W8O46
76
1
1,396.72
mp-1337287
8.288803
5.665387
-1.62724
other
V4Cr4O12
20
1
210.74
mp-627442
11.500094
4.481288
-4.138737
other
Ge7H18O23
48
1
489.68
mp-758590
9.476679
12.515299
-4.220539
other
Mn1V4O12
17
1
194.84
mp-767269
8.379033
13.537305
-1.015952
other
Ga7Fe9O24
40
1
438.26
mp-1178444
9.614739
10.84183
-3.380888
other
Cr1W3O12
16
1
213.85
mp-763943
15.086931
12.498929
-0.803051
other
V6O7F5
18
1
203.95
mp-1233223
11.840712
10.917674
-2.552511
other
Mg1Mo6O16
23
1
350.61