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-775103
12.190998
3.140626
1.00916
other
V8O6F18
32
1
395.81
mp-676168
-5.914115
-3.2044
-2.659285
other
Ag16Ge2Te12
30
1
839.3
mp-1174212
4.276815
19.215111
-1.858042
other
Li8Co6O14
28
1
246
mp-1224757
-3.978549
-1.653298
-5.432121
other
In16Bi12S40
68
1
1,621.99
mp-1101096
11.121883
9.432229
-1.85995
other
V6Bi12O33
51
1
802.66
mp-851094
8.111028
10.131407
-3.878377
other
Ti7Cr12O48
67
1
922.76
mp-1370790
8.22541
5.62116
-1.627805
other
V4Cr4O12
20
1
209.83
mp-1182846
8.019676
2.285614
-0.866516
other
Ce4N8F24
36
1
1,011.27
mp-773817
2.546808
2.564723
1.111901
other
Sn16N16O8
40
1
532.86
mp-676752
1.413557
2.405719
-5.317191
other
Li20Fe10Cl40
70
1
1,404.2
mp-1229168
-6.972815
-2.530096
6.42582
other
Al54Fe4Ni8
66
1
976.3
mp-763985
10.104564
1.139431
0.302464
other
Cr4O1F11
16
1
200.21
mp-760065
10.382082
1.321839
-1.815484
other
Co6O5F7
18
1
189.38
mp-1355084
7.658721
4.677091
-1.747376
other
Zr16N16O8
40
1
538.38
mp-756010
5.186703
11.595481
-2.33526
other
Fe6O10F2
18
1
194.82
mp-1182840
5.969855
5.217945
-4.377155
other
Be2N12O28
42
1
811.37
mp-849657
12.7989
-1.14905
0.725041
other
Mn12O10F14
36
1
423.6
mp-675189
-5.942888
-3.65621
-1.732331
other
Ho7Cu3Te12
22
1
677.8
mp-1176457
11.593655
-0.224431
1.413739
other
Mn6O2F10
18
1
232.95
mp-752443
9.221624
5.415473
-5.867917
other
Te2S8O28
38
1
535.4
mp-1346391
9.861172
1.917202
0.198283
other
Fe5O1F11
17
1
240.44
mp-1173610
11.904187
9.89065
2.398
other
Nd19Ti20O60
99
1
1,222.03
mp-777409
12.858747
-1.193947
0.819427
other
Mn6O5F7
18
1
210.5
mp-1097709
1.432892
2.488653
-5.48303
other
Cs1Pb2Cl5
8
1
363.19
mp-1351834
10.610962
9.383513
-0.146495
other
Ca6Sb12O24
42
1
756.62
mp-1247841
-1.965467
-8.493731
1.185754
other
Ag7P1Se6
14
1
18,368.45
mp-772297
7.768626
10.082299
-3.935286
other
Li4Cr4O14
22
1
285.71
mp-531564
9.850897
8.603687
3.238076
other
Ce10Y22O53
85
1
1,266.78
mp-760171
8.404464
14.902723
-1.005383
other
Na11Mn24O48
83
1
979.18
mp-676555
-5.89854
-3.249338
-2.639559
other
Ag8Ge1Te6
15
1
434.03
mp-1100939
9.73623
12.297811
-4.052721
other
V18Ni9O54
81
1
915.14
mp-779309
12.191958
3.141605
1.007184
other
V8O6F18
32
1
394.4
mp-1216504
10.871828
11.889811
-3.231169
other
V5W3O20
28
1
381.69
mp-997023
6.347892
5.778688
-3.899122
other
Cu2Br2O4
8
1
159.78
mp-2224867
7.799969
10.289528
-3.851258
other
Mg1Cr6O16
23
1
315.74
mp-755385
11.825348
1.33285
2.659242
other
Fe6O2F10
18
1
223.47
mp-34580
8.539644
1.384299
1.541067
other
Er6Pb8F34
48
1
655.53
mp-758275
6.414856
13.110172
-1.347931
other
Li12Ni21O36
69
1
621.22
mp-760797
9.953415
12.572906
-4.192659
other
Li1V24O58
83
1
1,057.95
mp-756874
10.484318
0.961399
-1.382983
other
Co6O4F8
18
1
199.7
mp-1363714
10.773484
9.369905
-0.654244
other
Sb20S12O20
52
1
1,192.77
mp-1245230
11.114743
12.875108
-0.718553
other
Cr28Fe4O48
80
1
960.07
mp-675284
10.237177
9.734139
3.308147
other
Lu16Ti8O40
64
1
810.19
mp-779329
8.610245
15.171172
-1.633871
other
Mn8O13F3
24
1
249.85
mp-754135
10.495512
0.178134
0.323204
other
Li6Mn4F18
28
1
375.46
mp-850288
15.116693
12.554327
-0.845762
other
V6O8F4
18
1
202.62
mp-532104
8.665811
14.31302
-1.131693
other
Mn16Cu14O40
70
1
733.48
mp-764574
12.74731
-0.04589
-0.052623
other
Mn12O14F10
36
1
397.71
mp-1181562
11.421697
4.560875
-4.229755
other
Ge7H18O23
48
1
489.87
mp-1277045
11.492229
13.074275
-1.857263
other
V2Co2O6
10
1
103.06
mp-532444
10.715423
9.247801
3.616255
other
Zr15Sc20O60
95
1
1,144.62
mp-1003923
8.410396
14.680761
-1.0514
other
Ca4Mn16O32
52
1
657.83
mp-1044140
10.707117
9.377915
-0.889194
other
Si2Sb15O28
45
1
915.16
mp-531956
10.788566
9.272949
3.600809
other
Hf9Sc12O36
57
1
673.18
mp-1233493
14.004261
6.785421
-0.700123
other
Mg1Si6O12
19
1
265.41
mp-698580
11.410227
11.163781
-1.169858
other
Co7Re17O48
72
1
797.2
mp-777331
5.808108
12.212225
-1.412867
other
Na4Ni7O16
27
1
316.89
mp-724767
7.683779
5.668685
-1.578541
other
Sr12Nb4O22
38
1
616.85
mp-769705
7.122796
13.236459
-1.68614
other
Cd4Co8O16
28
1
329.61
mp-1179395
11.952899
9.60814
1.18485
other
U8Mo4O32
44
1
655.4
mp-766548
10.728387
12.656694
2.003367
other
Li4Ti11O24
39
1
434.89
mp-782818
11.806575
-0.553495
1.170609
other
Mn12O5F19
36
1
454.39
mp-760039
8.997048
15.331255
-1.503159
other
Mn12O17F7
36
1
384.96
mp-799543
8.55366
3.724369
-0.615151
other
Mn16O8F16
40
1
542.35
mp-1100930
10.099575
9.043679
-0.875373
other
V4Bi23O44
71
1
1,188.41
mp-754691
15.081034
12.516385
-0.804901
other
V6O7F5
18
1
203.7
mp-685459
3.558328
-0.79423
-2.267195
other
Na48Be24H45
117
1
1,918.81
mp-1336298
-4.559045
-2.825104
-4.087207
other
Al8Hg20Se32
60
1
1,723.3
mp-1408860
8.450738
4.496818
-1.147016
other
V4O3F9
16
1
214.16
mp-2228951
11.776775
11.281071
-2.161129
other
Mg1W4O12
17
1
230.54
mp-1101272
11.048039
2.864668
1.288929
other
V8O4F20
32
1
429.42
mp-686476
1.189143
2.253465
-4.889044
other
Al12Bi48Cl46
106
1
4,865.18
mp-777337
14.17158
11.969914
-2.230525
other
V6O6F12
24
1
295.27
mp-685196
-5.910722
-3.235114
-2.719697
other
Tl4Ag32Te22
58
1
1,584.74
mp-1178260
5.439169
12.257063
-2.461095
other
Fe10O14F6
30
1
332.09
mp-1350654
8.125756
3.803296
-1.512005
other
Ca10Yb5F35
50
1
634.05
mp-756083
12.437774
11.880087
1.224765
other
Ti6Cr6O18
30
1
336.02
mp-1219400
-7.856999
0.952144
5.047725
other
Sm4Fe31Co3
38
1
520.73
mp-530316
10.227625
9.776819
3.369128
other
Dy16Ti8O40
64
1
844.49
mp-686016
8.766279
1.851895
1.283926
other
K6Sn12F30
48
1
882.59
mp-852444
7.494681
5.063383
-1.735352
other
Bi24Br10O31
65
1
1,310.4
mp-676684
10.548437
10.234301
3.212613
other
Sr8Nb4O18
30
1
496.3
mp-690521
8.732121
1.609227
1.486337
other
K3Cr1F3
7
1
162.38
mp-1217131
10.824481
5.917416
-3.070484
other
U2B9O22
33
1
410.88
mp-776213
1.680461
1.805517
2.938354
other
Hf16N16O8
40
1
502.36
mp-1311345
5.895175
13.016852
-1.480681
other
Li6Ni10O20
36
1
341.83
mp-758317
10.806579
11.551724
3.335608
other
Y2Ta6O18
26
1
369.59
mp-685369
10.183114
13.207598
-0.609826
other
Ti6Fe14O30
50
1
534.23
mp-757395
8.01896
12.421122
-0.292951
other
Li11Ru8O24
43
1
438.34
mp-754287
10.672703
12.621411
-4.636616
other
V4O7F5
16
1
211.04
mp-530169
10.054854
9.163139
-0.581829
other
Bi17W3O34
54
1
891.56
mp-674363
10.716174
9.25428
3.618802
other
Zr6Sc8O24
38
1
460.91
mp-689140
11.345768
10.90125
-2.290643
other
Pb2W2O8
12
1
190.76
mp-755885
7.804986
6.463155
-1.501579
other
Fe8O10F6
24
1
272.46
mp-685266
2.116946
2.256494
1.434094
other
Li6Mg42N30
78
1
1,012.99
mp-856175
7.635496
4.817332
-1.581709
other
V4O5F7
16
1
211.26
mp-758857
14.193137
11.957885
-2.140044
other
V4O4F8
16
1
195.88
mp-780697
12.081505
-0.781761
1.019041
other
Mn10O5F15
30
1
375.23
mp-530514
10.588858
12.076908
2.475975
other
Li17Nb18O54
89
1
1,004.63
mp-626275
10.429984
3.74086
-4.132277
other
Ca2H32O20
54
1
435.61