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-799001
8.103045
4.649249
-1.337085
other
V4O1F11
16
1
217.13
mp-766258
10.052501
8.47368
3.159148
other
Y13Tm3O24
40
1
589.74
mp-2224250
12.621089
13.12271
-1.406782
other
Mg1V5O10
16
1
187.31
mp-1044623
10.812216
9.296779
-0.396797
other
Mg6Sb12O24
42
1
698.95
mp-777399
8.595422
15.126105
-1.67415
other
Mn6O10F2
18
1
186.67
mp-998350
-4.56158
-3.043308
-3.533102
other
Ba1Zr1Se3
5
1
148.69
mp-1178286
5.214369
11.814731
-2.410393
other
Fe10O16F4
30
1
321.55
mp-760590
8.196639
11.566603
-0.21169
other
Li5Cu3O6
14
1
143.46
mp-676693
5.770243
2.844802
-3.257355
other
K4C4N4
12
1
202.49
mp-1220768
8.650423
1.245236
1.826375
other
Na3Y3F12
18
1
214.93
mp-766364
7.95248
10.494083
1.746493
other
La19Ru8O48
75
1
1,097.24
mp-1221847
-6.656458
0.168559
3.507244
other
Mn5Fe5C4
14
1
129.28
mp-760947
10.844599
12.620652
-4.468093
other
V4O7F5
16
1
194.08
mp-675978
8.378111
1.456091
0.8766
other
K2Bi3F11
16
1
285.95
mp-1173621
7.966261
11.830718
2.155715
other
Nd20Mn20O59
99
1
1,250.92
mp-36875
6.959313
12.764661
-1.897265
other
Na1Co3O6
10
1
107.27
mp-780185
12.72877
-0.080885
-0.049355
other
Mn12O14F10
36
1
396.27
mp-685272
-0.546388
1.1762
-4.499063
other
In16Sn16Br48
80
1
2,649.65
mp-775784
1.683512
1.806461
2.942698
other
Hf16N16O8
40
1
502.25
mp-778065
11.733294
7.935925
0.012318
other
Ga12N4O12
28
1
376.38
mp-775822
1.877147
1.759298
2.828357
other
Zr16N16O8
40
1
522.86
mp-779903
13.119068
0.624609
1.661155
other
Fe8O6F10
24
1
285.46
mp-777440
10.23539
2.4433
0.08048
other
V6O2F22
30
1
417.73
mp-752819
6.85866
12.65687
-1.294569
other
Li13Mn2O12
27
1
252.78
mp-686028
10.332803
9.897761
3.29004
other
Sr12Nb4O22
38
1
615.07
mp-1178326
5.219586
11.782806
-2.383527
other
Fe10O16F4
30
1
326.48
mp-1175482
4.216197
19.552454
-1.803189
other
Li9Co7O16
32
1
285.38
mp-2214552
13.774086
12.237973
-3.393362
other
V4O5F7
16
1
195.28
mp-756882
12.154697
12.65627
-4.093316
other
V6O9F9
24
1
311.39
mp-779973
1.681463
1.803367
2.916543
other
Hf16N16O8
40
1
502.16
mp-675208
-6.830796
1.386228
-4.044291
other
Co1Mo12Se16
29
1
614.86
mp-780165
12.721012
-1.100109
0.657687
other
Mn12O10F14
36
1
427.71
mp-1227596
9.343421
10.584161
-3.230166
other
Cs2W3O12
17
1
329.92
mp-1245147
10.361305
12.565597
-1.410673
other
Cr16Fe16O48
80
1
1,022.72
mp-754260
12.256693
13.447518
-2.193811
other
V6O11F1
18
1
179.49
mp-756828
12.835795
-1.170834
0.772327
other
Mn6O5F7
18
1
212.99
mp-1181148
8.762367
6.833014
-3.952893
other
Li12Se6O24
42
1
618.48
mp-625993
10.012362
4.397885
-4.085755
other
Te1H6O6
13
1
131.25
mp-2232218
7.113176
9.570632
-1.688808
other
Mg1Ag6O8
15
1
207.21
mp-1173228
9.628218
8.488816
2.791992
other
Sr6La8O18
32
1
675.72
mp-932458
-7.807803
-6.00666
3.76796
other
Sm4In21Pd10
35
1
759.8
mp-675245
10.821007
10.645885
-2.170996
other
Bi6W4O21
31
1
477.24
mp-1202134
6.165078
2.165289
-3.183107
other
H10C24N36
70
1
960.19
mp-1101114
10.721608
12.955256
1.305047
other
Ti12Co6O30
48
1
564.24
mp-1179931
3.13007
3.056698
-3.99833
other
Pd1N2Cl2
5
1
105.28
mp-675654
9.629559
8.629786
-0.45331
other
Cd2Bi6O11
19
1
323.2
mp-1101107
10.689647
13.092759
-0.3993
other
Ti7Fe13O30
50
1
540.13
mp-2229384
7.761458
10.084546
-3.859651
other
Mg1Cr4O12
17
1
315.74
mp-755228
12.752743
-0.119104
-0.02107
other
Mn6O7F5
18
1
202.86
mp-1048003
8.030922
8.867064
-0.808109
other
Zn1Bi4O8
13
1
236.39
mp-696736
8.897503
0.930462
1.405805
other
Rb1Be2F5
8
1
113.66
mp-766589
6.497677
14.095359
-1.922786
other
Li10Co16O32
58
1
543.97
mp-1217466
7.259118
9.671598
-1.732857
other
Ti6Fe1O16
23
1
269.84
mp-685320
-3.186386
1.584102
2.868316
other
Li20B54O1
75
1
730.1
mp-850925
10.532017
2.278492
-0.187616
other
V6O5F19
30
1
421.11
mp-758138
8.923841
9.481807
2.38041
other
La16Cu8O31
55
1
786.61
mp-2228295
8.991902
14.821635
-0.737964
other
Mg1Mn2O4
7
1
88.11
mp-1100928
11.455572
11.513639
-3.539867
other
V5Mo5O25
35
1
530.99
mp-686057
10.676342
12.114098
2.443431
other
Li8Nb8O24
40
1
445.41
mp-1189523
7.893919
7.954958
-4.232203
other
Mn3As2O14
19
1
258.86
mp-754951
9.02298
10.522775
-1.780502
other
Fe1Sb4O12
17
1
213.44
mp-1291001
9.850504
12.181738
0.215091
other
Li16Mn4O12
32
1
339.72
mp-1245071
11.052453
12.902438
-0.761003
other
Cr28Fe4O48
80
1
950.06
mp-705640
7.296423
14.491511
-1.389655
other
Li20Co21O40
81
1
679.16
mp-775807
10.420486
11.950711
2.168774
other
Mn4Nb16O48
68
1
897.86
mp-1173620
11.313967
9.088368
2.004051
other
Sm10Co5O15
30
1
492.68
mp-781954
12.089325
1.170404
2.5946
other
Fe10O4F16
30
1
366.2
mp-530194
10.187145
10.654839
3.27028
other
Ca16Nb8O36
60
1
798.7
mp-530473
5.599648
11.077817
-0.294113
other
Sr16Fe16O45
77
1
964.33
mp-762514
8.392819
14.784147
-1.244362
other
Li4Mn12O24
40
1
451.16
mp-35986
8.460155
1.323984
1.902013
other
Ba8Nd6F34
48
1
789.86
mp-33334
-5.088038
-4.972617
0.622146
other
Li17Mn4As8
29
1
459.55
mp-626099
11.031024
10.735427
-3.501628
other
Mo2H1O6
9
1
116.59
mp-674361
10.675719
12.104101
2.474312
other
Li10Nb10O30
50
1
559.93
mp-850930
10.219166
0.978853
1.578275
other
Li24Mn8F40
72
1
767.78
mp-760142
5.954359
11.952469
-1.643313
other
Li12Fe5O16
33
1
296.84
mp-1180439
10.119269
5.373445
-4.23801
other
Mo2H8O10
20
1
221.98
mp-729273
10.474596
9.42989
-1.898202
other
Tb4Te8O22
34
1
514.28
mp-1101248
10.598616
2.568918
0.408818
other
V4O2F12
18
1
280.88
mp-776245
1.85114
1.738392
2.810736
other
Zr12N12O6
30
1
375.1
mp-756133
11.496378
1.531369
2.632761
other
Fe8O2F14
24
1
300.79
mp-763192
11.357779
2.966368
1.236768
other
V6O3F15
24
1
294.1
mp-1100942
12.292542
12.651586
-2.161677
other
V20Fe8O48
76
1
942.77
mp-673834
-4.677625
-3.406245
-4.071987
other
Mg20Al8Se32
60
1
1,634.59
mp-1375444
7.69348
10.565028
-3.191594
other
Ca2Cr4O12
18
1
211.79
mp-1279528
5.770143
10.152989
-1.855557
other
Na16Fe4O20
40
1
512.95
mp-1206066
6.819668
4.94222
-4.71106
other
Li1C2O5
8
1
143.29
mp-861109
9.996962
8.454592
3.114391
other
Sm4Y12O24
40
1
611.06
mp-937870
7.560201
5.188685
-1.832129
other
Yb8Bi8O24
40
1
635.73
mp-682284
10.229967
9.093349
0.157715
other
Zn12In8O24
44
1
575.19
mp-626855
10.232415
4.697045
-4.317592
other
Fe4H14O13
31
1
234.47
mp-776337
1.881781
1.767578
2.826295
other
Zr16N16O8
40
1
522.78
mp-775445
5.231025
11.814764
-2.393158
other
Fe10O16F4
30
1
325.1
mp-1173146
10.968254
11.919859
2.841055
other
Ta4Sn1O12
17
1
247.7
mp-685308
12.022641
11.146046
-1.960971
other
K6W30O78
114
1
1,915.32
mp-1179245
10.812943
6.103096
-4.65996
other
V6H12O20
38
1
487.51
mp-1340532
10.130917
2.91384
1.337949
other
Fe7O3F9
19
1
242.91
mp-676049
8.688346
1.464538
0.338872
other
K1B1F4
6
1
105.72
mp-780186
7.901036
17.578274
-0.22951
other
Li9Mn10O20
39
1
383.37
mp-1045925
10.713527
9.110044
0.693491
other
Ca4Sn4O8
16
1
309.45