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Ag8SbF6

Alexandria ALEX

Alex-ID: agm072139342 · Space group: R-3m (#166)

Basic Information

Formula
Ag8SbF6
Alex-ID
agm072139342
Elements
3
Sites
15
Space group
R-3m (#166)
Crystal system
trigonal
Volume
289.12
ų
Cell a
10.7137
Å
Cell b
10.7137
Å
Cell c
10.7137
Å
α angle
30.98
°
β angle
30.98
°
γ angle
30.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag8SbF6
Ag
8.00 · 53.3%
Sb
1.00 · 6.7%
F
6.00 · 40.0%

Energy & Stability

Energy above hull
0.1280
eV/atom
Formation energy
-1.1507
eV/atom
Corrected total energy
-52.7169
eV
Raw total energy
-52.7169
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
0.8922
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_206_spg148

Decomposition

AgSbF6 Ag

Computed at

2024-10-11 08:27:42.855923

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072139342).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm072139342
data_agm072139342
_cell_length_a     10.71367
_cell_length_b     10.71367
_cell_length_c     10.71367
_cell_angle_alpha  30.98469
_cell_angle_beta   30.98469
_cell_angle_gamma  30.98469
_cell_volume       289.12006
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Ag1 Ag 0.79535 0.79535 0.79535 1.00000
  Ag2 Ag 0.20465 0.20465 0.20465 1.00000
  Ag3 Ag 0.70884 0.21106 0.70884 1.00000
  Ag4 Ag 0.21106 0.70884 0.70884 1.00000
  Ag5 Ag 0.70884 0.70884 0.21106 1.00000
  Ag6 Ag 0.29116 0.78894 0.29116 1.00000
  Ag7 Ag 0.78894 0.29116 0.29116 1.00000
  Ag8 Ag 0.29116 0.29116 0.78894 1.00000
  Sb1 Sb 0.00000 0.00000 0.00000 1.00000
  F1 F 0.27674 0.80579 0.80579 1.00000
  F2 F 0.80579 0.80579 0.27674 1.00000
  F3 F 0.80579 0.27674 0.80579 1.00000
  F4 F 0.72326 0.19421 0.19421 1.00000
  F5 F 0.19421 0.19421 0.72326 1.00000
  F6 F 0.19421 0.72326 0.19421 1.00000
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