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-754906
5.277273
12.039067
-2.441808
other
Fe10O15F5
30
1
328.42
mp-756805
10.727525
12.356305
-3.873639
other
V3Ni1O8
12
1
216.28
mp-779359
5.094669
10.983054
-2.368643
other
Fe10O19F1
30
1
317.88
mp-676923
9.557148
8.60499
-0.467819
other
Cd4Bi12O22
38
1
667.27
mp-673825
-1.784432
0.739662
-5.142639
other
Ag6S2I2
10
1
244.03
mp-1191643
-4.012275
-5.384687
5.309001
other
Ba8Cu1Si16
25
1
735.79
mp-1173572
7.972172
11.299625
1.990041
other
Sr16Mn8O29
53
1
840.79
mp-780862
12.113173
-0.81327
0.986654
other
Mn10O5F15
30
1
373.48
mp-780400
12.818727
-1.144794
0.708563
other
Mn12O10F14
36
1
419.8
mp-760098
11.235595
8.62423
2.393226
other
Y15U6O36
57
1
811.08
mp-2219380
12.968219
10.942932
-0.548034
other
Mg1Mo4O8
13
1
209.99
mp-531130
9.553165
8.579309
-0.552302
other
Tl1Bi25O39
65
1
1,124.6
mp-1385392
7.792425
4.367335
-1.294537
other
V2O3F3
8
1
105.26
mp-758440
12.735233
13.299744
-0.921023
other
Li11V16O32
59
1
614.05
mp-673347
7.383888
4.756197
-1.638181
other
Nb4H4O12
20
1
239.48
mp-1354180
7.851587
5.087616
-1.586091
other
Sc7V9O24
40
1
461.4
mp-626085
14.050468
5.316968
-1.08252
other
Si4H4O10
18
1
235.96
mp-705665
13.001874
10.632687
-0.311501
other
Nd4Mo31O56
91
1
1,273.76
mp-762692
10.491389
12.932134
-0.339445
other
Li5Fe11O16
32
1
312.56
mp-788130
7.559354
5.127453
-1.83613
other
Sn16N16O8
40
1
534.97
mp-532178
7.650095
8.587323
-1.400401
other
Yb16Zr12O48
76
1
1,019.47
mp-753883
9.479004
8.516907
1.927664
other
La4Bi2O9
15
1
300.06
mp-674421
8.525984
1.342124
0.731133
other
Tl16Cu8F22
46
1
950.82
mp-685259
12.555747
9.752341
1.874437
other
Y16Ti16O35
67
1
993.2
mp-1406304
7.645223
5.172805
-1.826999
other
V4O7F5
16
1
206.52
mp-1399651
7.030833
5.683475
-2.708542
other
Na2I2O8
12
1
190.91
mp-766056
11.894324
-0.489343
1.129818
other
Mn12O5F19
36
1
439.32
mp-2233763
6.474451
13.364062
-2.179457
other
Mg1Co4O8
13
1
168.4
mp-774383
12.141616
3.130276
0.991736
other
V8O6F18
32
1
396.92
mp-694948
11.950582
12.605333
0.666525
other
Ti16Fe16O48
80
1
868.1
mp-850942
12.258477
-0.837122
0.936335
other
Mn12O7F17
36
1
444.12
mp-729505
7.914732
3.406912
-5.549609
other
Na4C12O12
28
1
342.31
mp-1376731
6.769154
9.236373
-1.247668
other
Zn2Bi4O10
16
1
255.85
mp-753233
10.907824
8.665118
-1.43072
other
Sb6O5F8
19
1
372.8
mp-802236
8.231147
3.752742
-1.238612
other
Mn5O1F11
17
1
255.64
mp-1305634
7.396581
12.546098
-2.308461
other
Co6Te2O16
24
1
309.63
mp-759822
10.229385
2.444329
0.082566
other
V6O2F22
30
1
419.19
mp-754095
9.746894
0.508664
0.65861
other
Li3Cu4F9
16
1
184.44
mp-1178261
11.727166
7.948875
0.023935
other
Ga12N4O12
28
1
375.9
mp-1346713
7.494757
4.946302
-1.512842
other
La9Er1O15
25
1
410.05
mp-1041206
12.949613
10.700666
0.008601
other
Mg6Mo12O24
42
1
542.82
mp-676724
-6.019116
-3.508363
-2.043941
other
Ca2Al12Te20
34
1
1,236.68
mp-755992
5.885886
12.331095
-2.435069
other
Fe6O8F4
18
1
205.03
mp-752933
9.411487
0.784959
-0.582008
other
Cu6O1F11
18
1
213.09
mp-2229132
11.085443
10.882328
-3.346321
other
Mg1Mo4O12
17
1
217.78
mp-1388887
10.740664
12.539712
-0.521672
other
Zn4Fe4O8
16
1
182.7
mp-626819
9.974459
5.212026
-4.090231
other
Re2H6O10
18
1
216.57
mp-758718
11.803903
-0.517497
1.186303
other
Mn12O5F19
36
1
452.33
mp-1217440
-8.575031
1.382562
-3.133298
other
Te16Mo9Ru3
28
1
727.11
mp-1195858
-3.970064
-4.919119
5.752106
other
Na8Ga8Si38
54
1
1,122.57
mp-755469
13.313321
0.498205
1.443517
other
Fe6O5F7
18
1
214.32
mp-777824
13.333838
0.462076
1.455642
other
Fe6O5F7
18
1
213.98
mp-764744
11.381953
2.94344
1.335006
other
V2O1F5
8
1
99.83
mp-674976
10.541515
9.804952
3.969929
other
Zr9Sc1O20
30
1
347.39
mp-625774
11.667993
4.175901
-3.874733
other
Al8H24O24
56
1
431.78
mp-1217487
11.50947
8.300892
-2.918109
other
Te1As2O4
7
1
123.01
mp-756004
11.938493
0.724166
-0.104141
other
Fe6O7F5
18
1
204.01
mp-1101576
13.002442
7.061136
-6.310125
other
Sb5P6O24
35
1
532.69
mp-2224247
12.640823
13.06683
-1.320759
other
Mg1V5O10
16
1
183.64
mp-1227682
8.616988
7.666879
-2.463786
other
Ca6Si3O15
24
1
338.44
mp-1023371
7.768531
3.788409
-1.178609
other
Sn4S1F6
11
1
231.46
mp-775849
1.887036
1.765049
2.790721
other
Zr16N16O8
40
1
518.48
mp-764736
13.744552
12.240922
-3.383087
other
V4O5F7
16
1
196.87
mp-1101027
-4.853943
0.343123
-4.750759
other
Tl3V24S32
59
1
1,077.42
mp-1219203
-2.977577
-3.658599
0.982178
other
Si3P3Rh1
7
1
116.32
mp-753316
8.94238
0.901024
-0.367122
other
Li2Ag1F5
8
1
106.89
mp-1101556
8.872262
7.965603
-5.147845
other
Fe9P12O48
69
1
938.76
mp-779163
5.478963
12.283775
-2.457406
other
Fe10O14F6
30
1
331.8
mp-675943
8.588839
2.172881
1.661305
other
K3U1F3
7
1
234.44
mp-1198945
5.381303
-0.4032
-3.001979
other
Mg4B8H24
36
1
544.68
mp-530728
10.721468
9.350165
3.316957
other
Sc22Nb6O48
76
1
887.41
mp-1097834
12.518627
10.538658
-0.027281
other
K4W4O10
18
1
271.44
mp-861249
10.773778
10.105511
3.824814
other
Zr11V1O24
36
1
434.99
mp-1638858
9.772243
12.734601
-0.26465
other
Li16Fe10O20
46
1
524.82
mp-778182
12.808434
0.870345
2.164341
other
Fe10O6F14
30
1
355.91
mp-759277
12.733734
-1.119129
0.689434
other
Mn12O10F14
36
1
428.92
mp-675307
-5.511035
-0.753088
-4.139916
other
Fe10Ni14S32
56
1
842.34
mp-764375
9.816147
1.802019
0.703994
other
Li12V6F36
54
1
668.64
mp-757336
1.679429
1.806185
2.956727
other
Hf16N16O8
40
1
502.01
mp-1215806
-7.266331
-1.658002
2.848977
other
Zn4Si8Ni12
24
1
281.2
mp-1220999
8.57051
1.290743
1.864365
other
Na3Nd3F12
18
1
234.98
mp-765702
12.79048
-0.119113
-0.004377
other
Mn6O7F5
18
1
200.74
mp-2241458
11.066144
12.516638
-3.635628
other
Mg1V4O10
15
1
261.48
mp-1638660
8.107704
13.015363
-0.728797
other
Li8Co5O10
23
1
254.55
mp-1181677
8.187226
4.196408
-4.559472
other
H16N8O12
36
1
416.49
mp-1100996
-3.966685
-1.371441
-5.736237
other
Tl1In5S8
14
1
354.22
mp-776361
1.304369
1.870124
2.747993
other
Ti16N16O8
40
1
428.02
mp-673837
6.229496
8.600206
-0.098326
other
Ba8Bi4O17
29
1
568
mp-676889
-3.057196
-1.508347
-5.322715
other
Ba11Ta6S26
43
1
1,167.69
mp-757016
11.264239
12.912062
0.08008
other
Ti5Fe7O18
30
1
327.02
mp-775802
1.880996
1.764049
2.824463
other
Zr16N16O8
40
1
522.89
mp-1173577
10.445938
12.327384
-4.10893
other
Na1V6O15
22
1
416.56
mp-2217203
12.820633
12.789326
-0.936363
other
Mg1V3O6
10
1
115.05
mp-754837
1.708635
1.79273
2.982471
other
Hf8N8O4
20
1
252.65
mp-858629
7.615303
4.993341
-1.736895
other
Hf16N16O8
40
1
512.67
mp-1178306
5.196932
11.624271
-2.34048
other
Fe6O10F2
18
1
195.05
mp-756028
15.06366
12.46073
-0.789704
other
V6O7F5
18
1
204.74
mp-804341
10.043029
13.962771
-0.906471
other
Li4Cr8O16
28
1
294.21
mp-685674
12.978223
10.086983
2.280449
other
Nb40N21O16
77
1
994.13
mp-780467
10.487967
2.243148
-0.203446
other
V6O5F19
30
1
431.16