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Co5Ag

Alexandria ALEX

Alex-ID: agm005482273 · Space group: Amm2 (#38)

Basic Information

Formula
Co5Ag
Alex-ID
agm005482273
Elements
2
Sites
6
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
72.81
ų
Cell a
7.0145
Å
Cell b
7.0145
Å
Cell c
4.1186
Å
α angle
90.00
°
β angle
90.00
°
γ angle
158.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co5Ag
Co
5.00 · 83.3%
Ag
1.00 · 16.7%

Energy & Stability

Energy above hull
0.2319
eV/atom
Formation energy
0.2319
eV/atom
Corrected total energy
-37.0789
eV
Raw total energy
-37.0789
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0046
eV
DOS at Fermi level
4.7881
Total magnetisation
8.2869
μB

Additional Information

Prototype ID

AB5_269_spg38

Decomposition

Ag Co

Computed at

2023-03-22 18:04:09.792738

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: agm005482273).

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 agm005482273
data_agm005482273
_cell_length_a     7.01445
_cell_length_b     7.01445
_cell_length_c     4.11863
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  158.94269
_cell_volume       72.81152
_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 0.22403 0.77597 0.50000 1.00000
  Co2 Co 0.32332 0.67668 0.00000 1.00000
  Co3 Co 0.57222 0.42778 0.50000 1.00000
  Co4 Co 0.67285 0.32715 0.00000 1.00000
  Co5 Co 0.87782 0.12218 0.50000 1.00000
  Ag1 Ag 0.99643 0.00357 0.00000 1.00000
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