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CoAg

Alexandria ALEX

Alex-ID: agm005482276 · Space group: Cm (#8)

Basic Information

Formula
CoAg
Alex-ID
agm005482276
Elements
2
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
87.99
ų
Cell a
5.7733
Å
Cell b
5.7733
Å
Cell c
5.8493
Å
α angle
75.68
°
β angle
75.68
°
γ angle
27.82
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CoAg
Co
3.00 · 50.0%
Ag
3.00 · 50.0%

Energy & Stability

Energy above hull
0.3493
eV/atom
Formation energy
0.3493
eV/atom
Corrected total energy
-27.8290
eV
Raw total energy
-27.8290
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0158
eV
DOS at Fermi level
5.9892
Total magnetisation
5.2947
μB

Additional Information

Prototype ID

AB_1692_spg8

Decomposition

Ag Co

Computed at

2023-03-20 14:46:00.076010

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: agm005482276).

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 agm005482276
data_agm005482276
_cell_length_a     5.77331
_cell_length_b     5.77331
_cell_length_c     5.84926
_cell_angle_alpha  75.67830
_cell_angle_beta   75.67830
_cell_angle_gamma  27.82072
_cell_volume       87.98592
_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
  Co1 Co 0.68596 0.68596 0.56515 1.00000
  Co2 Co 0.04078 0.04078 0.44620 1.00000
  Co3 Co 0.68097 0.68097 0.16651 1.00000
  Ag1 Ag 0.04747 0.04747 0.92358 1.00000
  Ag2 Ag 0.34154 0.34154 0.78604 1.00000
  Ag3 Ag 0.36994 0.36994 0.27918 1.00000
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