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AgSbCl4

Alexandria ALEX

Alex-ID: agm003736062 · Space group: C2/c (#15)

Basic Information

Formula
AgSbCl4
Alex-ID
agm003736062
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
358.86
ų
Cell a
6.8309
Å
Cell b
6.7687
Å
Cell c
9.0779
Å
α angle
105.04
°
β angle
105.30
°
γ angle
107.54
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AgSbCl4
Ag
2.00 · 16.7%
Sb
2.00 · 16.7%
Cl
8.00 · 66.7%

Energy & Stability

Energy above hull
0.0282
eV/atom
Formation energy
-1.1021
eV/atom
Corrected total energy
-37.2039
eV
Raw total energy
-37.2039
eV

Electronic Structure

Indirect band gap
2.5953
eV
Direct band gap
2.8142
eV
DOS at Fermi level
0.0000
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1119_spg15

Decomposition

SbCl3 AgCl

Computed at

2022-04-18 08:56:49.552393

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: agm003736062).

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 agm003736062
data_agm003736062
_cell_length_a     6.83092
_cell_length_b     6.76865
_cell_length_c     9.07792
_cell_angle_alpha  105.03595
_cell_angle_beta   105.30090
_cell_angle_gamma  107.53936
_cell_volume       358.85681
_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 0.33519 0.58519 0.17039 1.00000
  Ag2 Ag 0.66481 0.41481 0.82961 1.00000
  Sb1 Sb 0.82487 0.07487 0.14974 1.00000
  Sb2 Sb 0.17513 0.92513 0.85026 1.00000
  Cl1 Cl 0.30497 0.03792 0.64355 1.00000
  Cl2 Cl 0.03262 0.79203 0.11058 1.00000
  Cl3 Cl 0.16142 0.39437 0.35645 1.00000
  Cl4 Cl 0.42204 0.68145 0.88942 1.00000
  Cl5 Cl 0.69503 0.96208 0.35645 1.00000
  Cl6 Cl 0.83858 0.60563 0.64355 1.00000
  Cl7 Cl 0.96738 0.20797 0.88942 1.00000
  Cl8 Cl 0.57796 0.31855 0.11058 1.00000
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