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-1209895
8.417273
1.37028
1.378642
other
Nd2Zr2F14
18
4
296.79
mp-772748
13.221879
6.333498
-6.51974
other
Ba4P12O34
50
4
745.41
mp-1190329
11.319862
8.842584
0.940832
other
Na4U4O14
22
4
338.82
mp-1222970
-5.054204
-4.479884
6.053391
other
La2Y18Si16
36
4
852.39
mp-1192766
7.195592
7.24038
-3.992837
other
Np2Cl2O20
24
4
502.87
mp-753194
5.148326
11.357496
-2.29292
other
Fe8O14F2
24
4
258.36
mp-15201
10.171445
10.566865
3.357574
other
Pr8Ti8O28
44
4
552.75
mp-768468
6.793363
8.984222
-1.026977
other
In8Bi8O28
44
4
624.36
mp-1100349
-3.376765
-1.638446
-5.784436
other
Ca8Sn6S20
34
4
810.78
mp-680191
-4.586518
-1.905645
-3.329071
other
Na16Ti16Se72
104
4
2,794.15
mp-1182605
10.952043
4.043554
-4.175569
other
Be12H24O24
60
4
495.03
mp-1193030
-2.932457
-2.620411
-4.918367
other
Ce8Co2S14
24
4
558
mp-1042375
7.713013
9.899446
-3.833462
other
Ca2Cr4O14
20
4
379.28
mp-754869
7.54856
6.535127
-2.947189
other
Sr2I4O12
18
4
358.08
mp-755914
11.506598
1.526741
2.629467
other
Fe8O2F14
24
4
301.78
mp-761062
10.218424
2.459126
0.075631
other
V6O2F22
30
4
412.08
mp-625614
10.275682
3.078685
-4.000466
other
H36Br4O16
56
4
565.32
mp-764044
11.600309
-0.262327
1.396599
other
Mn6O2F10
18
4
232.36
mp-1200314
11.163488
5.543912
-2.877012
other
Ca2B16O30
48
4
581.23
mp-1104288
6.466417
6.15383
-4.529483
other
Nd2N2O10
14
4
205.47
mp-850205
12.44443
-1.061377
0.951509
other
Mn6O4F8
18
4
220.59
mp-777862
10.553088
0.034543
0.233183
other
Li12Mn12F48
72
4
906.92
mp-1212860
8.428933
1.319566
1.351939
other
Dy2Zr2F14
18
4
273.94
mp-1213046
6.348868
6.099942
-4.408787
other
Cu4N2O12
18
4
223.81
mp-698549
6.973418
12.271829
1.367486
other
Ca8Mn8O22
38
4
449.42
mp-1278892
9.686865
9.369579
0.034336
other
Mn4Bi6O14
24
4
350.19
mp-1208332
8.393571
1.24752
1.417339
other
Tb2Hf2F14
18
4
272.67
mp-13979
10.450123
11.242749
3.166201
other
Ca8Nb8O28
44
4
569.61
mp-759929
10.681387
-0.059487
0.224341
other
Li4Mn8F28
40
4
502.2
mp-773030
10.095055
7.414052
-5.859583
other
Sc2P4O14
20
4
290.4
mp-1199533
7.480599
8.220688
-1.518535
other
Pb14Br4O16
34
4
799.4
mp-780323
10.33721
2.498944
0.054506
other
V6O2F22
30
4
374.93
mp-1197744
6.577396
6.123109
-3.85539
other
Yb8Cl4O26
38
4
595.08
mp-625937
8.884192
3.944521
-4.419369
other
H28N4O24
56
4
533.29
mp-26630
13.322233
6.091978
-7.407503
other
Ti2P4O14
20
4
260.3
mp-768983
1.136956
1.712451
-5.202331
other
Ba8Y4Cl28
40
4
1,237.8
mp-5707
8.455884
1.52811
0.503922
other
Cs2As2F8
12
4
246.43
mp-1183528
-7.80373
-4.047395
3.063499
other
Ca2Ge4Pt4
10
4
190.09
mp-1212722
8.483062
1.306921
0.992116
other
Eu2Hf2F14
18
4
282.97
mp-1105125
6.531993
6.270507
-4.517665
other
Pr2N2O10
14
4
208.05
mp-779412
12.980239
0.759637
2.001339
other
Fe6O4F8
18
4
218.64
mp-1228240
10.848268
7.052216
-1.770077
other
Al2Si6O16
24
4
386.53
mp-861494
10.270357
12.940536
-3.826564
other
V12Co4O32
48
4
580.35
mp-1219220
3.391908
2.650031
1.165854
other
Si2P2N6
10
4
113.9
mp-1247827
6.567406
7.128301
-2.115317
other
Al2H2O4
8
4
646.73
mp-765221
11.077916
0.32056
1.694444
other
Mn12O2F22
36
4
473.86
mp-1104744
8.166843
4.153846
-6.101037
other
Hg2C4O8
14
4
178.77
mp-780525
11.076355
0.317421
1.693728
other
Mn12O2F22
36
4
473.89
mp-30532
-1.155665
2.819126
-2.947828
other
Tl4Zn2I8
14
4
572.9
mp-1342174
7.718225
9.892817
-3.901701
other
Mg2Cr4O14
20
4
307.4
mp-781081
10.598368
2.329476
-0.294624
other
V2O2F6
10
4
145.47
mp-1200233
-2.921941
-2.460181
-5.876969
other
Dy8Ag8S16
32
4
742.23
mp-625616
10.257755
3.062605
-4.007844
other
H36Br4O16
56
4
580.85
mp-1207968
8.602918
1.277609
1.401041
other
Tm2Hf2F14
18
4
260.94
mp-1227418
-6.751537
-4.604353
0.472716
other
Bi6Sb2Pt4
12
4
309.77
mp-1221675
-6.082426
-1.065447
4.432863
other
Mn2Cr2Si4
8
4
94.37
mp-1203504
9.04587
7.671708
-5.680991
other
Fe4P6O26
36
4
643.86
mp-1301543
12.549816
-1.013226
1.129552
other
Mn6O4F8
18
4
206.7
mp-1219515
-5.315716
-0.944771
-3.275912
other
Ru4Se2S6
12
4
189.92
mp-1196359
11.248079
5.521176
-2.851211
other
Sr2B16O30
48
4
606.14
mp-1193511
8.619587
7.533484
-4.949185
other
Hf2P4O20
26
4
436.54
mp-625596
10.263745
3.081297
-3.982789
other
H36Br4O16
56
4
585.91
mp-1219124
-4.700286
-5.493817
0.693417
other
Sr56Ga4As44
104
45
3,048.9
mp-570504
-5.602854
-5.450337
0.876605
other
Yb22In2Sb18
42
45
1,247.12
mp-1214215
-5.215788
-5.931859
0.714015
other
Ca22Al2Sb18
42
45
1,249.45
mp-505440
7.632062
11.526834
0.664125
other
Sr8Fe12O26
46
45
604.94
mp-616541
5.549744
3.324734
-4.652316
other
Ru2C8O8
18
45
310.04
mp-532211
-4.787273
-6.117032
0.959119
other
Ba56Mn4Sb44
104
45
4,211.01
mp-530564
-4.735571
-5.492425
0.727562
other
Sr56Mn4As44
104
45
3,081.94
mp-861528
10.510036
12.561537
-3.855349
other
V12Co4O32
48
45
620.5
mp-29722
-5.237117
-5.931749
0.715867
other
Ca22In2Sb18
42
45
1,265.65
mp-622930
9.393231
8.770926
1.567732
other
Ba8In12O26
46
45
758.12
mp-1214384
-5.225159
-5.914501
0.716295
other
Ca22Ga2Sb18
42
45
1,247.11
mp-1204222
7.296384
11.474453
-0.453843
other
Sr8Fe8O26
42
45
577.01
mp-1196426
-5.5942
-5.463488
0.873709
other
Yb22Al2Sb18
42
45
1,234.4
mp-578752
-5.17109
-6.10822
0.832762
other
Sr22In2Sb18
42
45
1,464.21
mp-781012
5.550989
11.464378
-1.721589
other
Na8Fe12O26
46
45
536.15
mp-677262
-1.202562
2.732624
-2.844124
other
K6In6I24
36
45
2,181.67
mp-772408
9.523197
8.468805
3.258153
other
Ba8Tm12O26
46
45
795.78
mp-1178543
9.550913
8.50149
3.211988
other
Ba8Lu12O26
46
45
770.06
mp-569811
-5.592844
-5.436836
0.896382
other
Yb22Ga2Sb18
42
45
1,228.28
mp-1019510
13.919946
5.476717
-6.752187
other
Al16P16O64
96
45
1,838.52
mp-27284
10.566718
12.59737
-3.789143
other
V12Zn4O32
48
45
625.02
mp-1180710
13.841908
4.120583
-2.325463
other
Na24B52O90
166
45
1,749.99
mp-532160
-3.595628
-4.693556
0.740102
other
Ca56Mn4P44
104
45
2,403.5
mp-1202685
6.879898
3.720152
-4.212135
other
Sn4C16O16
36
45
661.26
mp-532462
-4.736975
-5.365127
0.639199
other
Ca56Mn4As44
104
45
2,611.49
mp-1177493
11.244242
13.257492
-2.700019
other
Li6V6O16
28
44
293.16
mp-1215835
8.384316
9.38371
-3.722835
other
Zn1Mo3O14
18
44
275.38
mp-1217276
-5.319653
-3.943805
5.913484
other
Th2Si3Os1
6
44
124.2
mp-1225671
-8.455764
-0.170322
4.312438
other
Dy1Ti1Co11
13
44
162.99
mp-1219945
-7.370803
-1.022176
4.982439
other
Pr4Ho2Mn23
29
44
449.11
mp-1206471
-8.05326
-6.275185
6.203792
other
Lu7Te2Rh2
11
44
278.97
mp-1190225
-8.248473
-4.793668
3.394666
other
Y6Ge6Pd6
18
44
357.87
mp-1102755
-3.937012
0.976094
3.312034
other
Li4Be4B4
12
44
89.61
mp-1210749
-8.159258
-6.337986
6.479612
other
Lu7Te2Ru2
11
44
275.48
mp-1213175
-7.875577
-6.432129
6.286638
other
Er7Ag2Te2
11
44
299.63
mp-2220557
10.763147
11.949067
2.648695
other
Ta2Cu1O6
9
44
112.15
mp-1216404
2.260349
2.71036
-4.323308
other
V4Cl8O4
16
44
345.13
mp-570879
-7.311333
-6.193014
3.227119
other
Ca6Cu6Sn6
18
44
399.08