Navigation

HEAS Data Platform · Materials Science Database

Ag8Cl11

Alexandria ALEX

Alex-ID: agm008486385 · Space group: C2/m (#12)

Basic Information

Formula
Ag8Cl11
Alex-ID
agm008486385
Elements
2
Sites
19
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
556.84
ų
Cell a
11.5744
Å
Cell b
11.5744
Å
Cell c
11.3563
Å
α angle
72.05
°
β angle
72.05
°
γ angle
22.68
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag8Cl11
Ag
8.00 · 42.1%
Cl
11.00 · 57.9%

Energy & Stability

Energy above hull
0.0418
eV/atom
Formation energy
-0.7089
eV/atom
Corrected total energy
-50.0716
eV
Raw total energy
-50.0716
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.1536
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A8B11_92_spg12

Decomposition

AgCl2 Ag3Cl4

Computed at

2024-05-09 18:03:28.605954

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: agm008486385).

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 agm008486385
data_agm008486385
_cell_length_a     11.57436
_cell_length_b     11.57436
_cell_length_c     11.35632
_cell_angle_alpha  72.04915
_cell_angle_beta   72.04915
_cell_angle_gamma  22.67833
_cell_volume       556.83832
_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 0.86816 0.86816 0.48196 1.00000
  Ag2 Ag 0.13184 0.13184 0.51804 1.00000
  Ag3 Ag 0.84798 0.84798 0.87046 1.00000
  Ag4 Ag 0.15202 0.15202 0.12954 1.00000
  Ag5 Ag 0.67603 0.67603 0.79622 1.00000
  Ag6 Ag 0.32397 0.32397 0.20378 1.00000
  Ag7 Ag 0.48199 0.48199 0.22269 1.00000
  Ag8 Ag 0.51801 0.51801 0.77731 1.00000
  Cl1 Cl 0.96965 0.96965 0.78298 1.00000
  Cl2 Cl 0.03035 0.03035 0.21702 1.00000
  Cl3 Cl 0.67050 0.67050 0.02535 1.00000
  Cl4 Cl 0.32950 0.32950 0.97465 1.00000
  Cl5 Cl 0.57461 0.57461 0.55025 1.00000
  Cl6 Cl 0.42539 0.42539 0.44975 1.00000
  Cl7 Cl 0.85449 0.85449 0.26380 1.00000
  Cl8 Cl 0.14551 0.14551 0.73620 1.00000
  Cl9 Cl 0.50000 0.50000 0.00000 1.00000
  Cl10 Cl 0.79723 0.79723 0.69883 1.00000
  Cl11 Cl 0.20277 0.20277 0.30117 1.00000
Get direct link