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-758672
7.441274
12.641347
-0.872601
other
Li15Mn2O12
29
1
251.83
mp-763464
10.872888
10.216394
3.591322
other
Zr16Mn4O36
56
1
689.74
mp-1185676
-6.001419
-8.488889
5.713204
other
Mg16Al12I1
29
1
604.31
mp-626563
10.426586
3.77068
-4.136935
other
Ca2H32O20
54
1
453.59
mp-752852
11.524705
12.120432
2.123889
other
Ba1Ti8O16
25
1
311.96
mp-674357
9.097185
1.596637
1.73414
other
Sm8Al8F40
56
1
750.19
mp-677724
11.634095
8.665614
2.004121
other
U8Bi2O19
29
1
404.07
mp-1046301
12.821133
12.394321
-0.966511
other
V4Zn4O8
16
1
212.47
mp-758700
8.439914
15.00351
-0.889818
other
Li6Mn12O24
42
1
458.39
mp-33932
11.188297
11.8494
1.968422
other
Nb4H4O12
20
1
235.87
mp-1224596
-7.237636
-3.446184
4.591529
other
Hf6Ga9Co3
18
1
295.49
mp-1178332
6.466499
14.029492
-1.929027
other
Li8Co16O32
56
1
558.19
mp-1225419
-6.572463
-0.681826
1.957252
other
Fe16Ni20P12
48
1
529.57
mp-758913
8.309947
12.689836
-0.478088
other
Li17Co8O18
43
1
474.97
mp-1356066
7.708436
4.923094
-1.554581
other
Zn6Mo12O24
42
1
543.09
mp-1041340
8.846243
14.794998
-0.612413
other
Mn12Zn6O24
42
1
478.97
mp-728750
8.076303
10.87654
-0.468615
other
Na8Pt4O12
24
1
280.11
mp-758863
2.545096
2.57174
1.108938
other
Sn16N16O8
40
1
534.75
mp-1642266
7.028116
19.606455
-0.186353
other
Li7Mn5O12
24
1
220.68
mp-1173870
6.53388
5.230509
-4.582523
other
Na11N7O16
34
1
528.14
mp-778670
14.176702
11.962165
-2.159473
other
V6O6F12
24
1
294.65
mp-754814
5.315247
12.065237
-2.42677
other
Fe10O15F5
30
1
331.48
mp-780978
13.138001
0.592184
1.693771
other
Fe8O6F10
24
1
285.51
mp-754288
7.673272
13.466414
-1.23786
other
Mg1Fe11O18
30
1
317.55
mp-1173206
8.934101
1.126264
1.212035
other
Sr10Cr6F38
54
1
818.15
mp-1349923
10.69173
9.363072
-0.587406
other
Zn6Sb12O24
42
1
715.61
mp-779909
15.079161
12.468332
-0.787295
other
V6O7F5
18
1
204.9
mp-752918
11.351672
12.396732
2.071225
other
Na1Ti6O12
19
1
215.75
mp-776334
1.307212
1.868845
2.740518
other
Ti16N16O8
40
1
428.01
mp-776537
10.236551
2.440979
0.081619
other
V6O2F22
30
1
418.31
mp-765719
11.115685
0.268134
1.692936
other
Mn6O1F11
18
1
240.35
mp-756077
10.56401
2.329822
-0.323688
other
V4O4F12
20
1
285.92
mp-626431
11.711033
4.189604
-3.813784
other
Al4H12O12
28
1
218.91
mp-1393057
8.526984
4.336067
-0.935485
other
V4O1F11
16
1
217.13
mp-778248
12.804387
0.85278
2.182756
other
Fe10O6F14
30
1
361.93
mp-626121
12.261386
6.481942
-4.187996
other
V3H5O8
16
1
147.98
mp-755677
12.956894
0.786014
2.008507
other
Fe6O4F8
18
1
217.08
mp-1227391
-2.79572
-2.41546
-5.624048
other
La18Ge10S42
70
1
1,690.3
mp-752821
11.425325
13.460093
-2.414705
other
Li3V5O12
20
1
215.13
mp-685404
10.061667
13.074421
-0.430969
other
Li10Fe21O32
63
1
598.87
mp-1344933
12.585085
9.97122
1.769884
other
Ca4Ti4O8
16
1
256.69
mp-1221888
-7.122256
0.473121
3.648362
other
Mn3Fe9C4
16
1
150.77
mp-1178435
10.301951
1.328393
-1.723511
other
Co6O5F7
18
1
198.02
mp-2229530
-4.045455
0.054577
-4.098314
other
Mg1Nb4S12
17
1
323.71
mp-699145
13.009418
10.643817
-0.240109
other
La6Mo48O84
138
1
1,965.09
mp-1178377
10.903218
1.808104
2.494061
other
Fe10O1F19
30
1
379.36
mp-2224812
7.715821
8.86848
-0.79285
other
Mg1Bi4O8
13
1
203.55
mp-676605
8.636344
1.860734
2.456793
other
Y6O5F8
19
1
259.15
mp-771053
8.821522
13.847217
-1.567764
other
Mn10Cr6O32
48
1
563.08
mp-686717
-5.686517
-1.687686
-2.839523
other
Fe2Ni1Se4
7
1
115.72
mp-767825
-7.85519
-0.890896
2.971785
other
Cr22Ni50Mo3
75
1
837.66
mp-778157
12.815477
0.879641
2.201655
other
Fe10O6F14
30
1
359.95
mp-625731
10.119557
5.285875
-4.326094
other
Mo2H8O10
20
1
198.49
mp-1180278
6.143837
5.787648
-3.938019
other
Na4Cl4O12
20
1
523.66
mp-1100861
12.596229
13.019206
-1.248063
other
V16Bi3O32
51
1
614.24
mp-756873
7.892399
10.315335
-3.726818
other
Li4Cr2O8
14
1
184.02
mp-754575
9.345919
12.56308
-0.115062
other
Li17Cr2O12
31
1
260.73
mp-673116
9.832772
7.532111
-5.602275
other
Bi5P6O24
35
1
556.05
mp-1220151
-9.063071
1.820528
-3.423452
other
Ni1Te8Mo6
15
1
370.19
mp-776518
8.462463
14.863214
-1.723341
other
Mn8O14F2
24
1
243.95
mp-770843
12.390748
12.710574
-0.591251
other
V4Cr4O12
20
1
198.98
mp-755498
8.44546
12.665268
-0.334816
other
Li7Co2O6
15
1
146.19
mp-776363
1.887006
1.765407
2.820712
other
Zr16N16O8
40
1
523.14
mp-763224
8.606836
15.187938
-1.658714
other
Mn8O13F3
24
1
246.33
mp-754836
15.065812
12.450613
-0.783774
other
V6O7F5
18
1
205.94
mp-850989
12.423317
12.555894
-3.973479
other
V6O9F9
24
1
298.39
mp-626568
11.690518
4.175548
-3.864323
other
Al8H24O24
56
1
419.12
mp-26562
13.529133
8.942668
-5.366697
other
Mo9P12O48
69
1
985.68
mp-37839
8.19875
12.731882
-0.700212
other
Li7Ru1O6
14
1
120.77
mp-1040512
10.242649
11.487777
1.94425
other
Nb3Si1O10
14
1
163.4
mp-36779
5.071901
2.923018
-1.450108
other
P8N8O8
24
1
298.25
mp-626337
10.453021
3.742409
-4.120027
other
Sr2H32O20
54
1
458.61
mp-752513
10.482723
0.659541
-0.709049
other
Co6O2F10
18
1
211.03
mp-1177872
6.007318
12.93894
-1.461076
other
Li4Ni10O18
32
1
309.98
mp-1179337
10.361503
3.766885
-4.124728
other
Sr1H16O10
27
1
266.71
mp-1220826
8.456439
1.129208
1.900643
other
Na3La3F12
18
1
247.35
mp-760229
10.070549
0.348141
-0.100648
other
Li12Mn6F36
54
1
635.55
mp-1220110
-6.803887
1.341376
-4.170834
other
Ni1Mo6Se8
15
1
313.44
mp-754830
12.752939
-0.150535
-0.01591
other
Mn6O7F5
18
1
202.02
mp-1173866
8.700623
4.96016
-5.129125
other
Na12S12O30
54
1
914.26
mp-662619
10.718358
9.085427
0.059636
other
In4O4F4
12
1
158.25
mp-1045717
12.346565
11.053224
-1.198307
other
Ca2W4O12
18
1
240.83
mp-755284
10.117135
1.144868
0.29408
other
Cr4O1F11
16
1
198.67
mp-672177
-5.273158
-0.993884
-4.601366
other
K4Ni6S8
18
1
382.03
mp-1218961
-3.397214
-1.860195
-5.761649
other
Sn2Pb2S4
8
1
300.26
mp-936907
-5.135054
-0.770916
-4.428048
other
Fe12Ni18S40
70
1
1,033.73
mp-1226415
9.668966
10.497077
-3.910777
other
Co4Mo4O19
27
1
421.29
mp-998710
8.347268
1.391844
0.609514
other
Tl1Hg1F3
5
1
92.82
mp-530144
-4.600265
-1.624048
-5.659996
other
Ba6Cu34S27
67
1
1,188.92
mp-680086
-0.813601
1.060341
-4.063294
other
Bi34Ir3Br37
74
1
2,631.03
mp-773831
2.540947
2.569947
1.107514
other
Sn16N16O8
40
1
533.21
mp-758791
7.649441
16.587097
-0.677111
other
Li10Mn10O24
44
1
438.01
mp-754477
13.321567
0.4875
1.450079
other
Fe6O5F7
18
1
212.59
mp-531901
11.645847
12.728429
0.385053
other
Ti11Fe13O36
60
1
654.72
mp-778930
11.797365
-0.539217
1.176686
other
Mn12O5F19
36
1
451.04
mp-1403302
9.670895
9.646235
-0.349075
other
Zn2Sn4O10
16
1
236.57
mp-752866
10.856051
12.549156
-4.534908
other
V4O7F5
16
1
195.83
mp-674423
10.72128
10.001498
3.112469
other
Sr20Ta8O39
67
1
1,037.94
mp-1047989
10.551699
9.627859
-0.348835
other
Mg1Sb4O8
13
1
204.97
mp-675218
10.265193
10.759759
1.114318
other
Ba22W8O46
76
1
1,383.24