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Cu7Ag5

Alexandria ALEX

Alex-ID: agm025010372 · Space group: R-3m (#166)

Basic Information

Formula
Cu7Ag5
Alex-ID
agm025010372
Elements
2
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
181.95
ų
Cell a
9.0332
Å
Cell b
9.0332
Å
Cell c
9.0332
Å
α angle
31.81
°
β angle
31.81
°
γ angle
31.81
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cu7Ag5
Cu
7.00 · 58.3%
Ag
5.00 · 41.7%

Energy & Stability

Energy above hull
0.1626
eV/atom
Formation energy
0.1626
eV/atom
Corrected total energy
-41.4243
eV
Raw total energy
-41.4243
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0153
eV
DOS at Fermi level
2.7222
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B7_685_spg166

Decomposition

Ag Cu

Computed at

2025-05-16 01:30:02

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: agm025010372).

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 agm025010372
data_agm025010372
_cell_length_a     9.03318
_cell_length_b     9.03318
_cell_length_c     9.03318
_cell_angle_alpha  31.81417
_cell_angle_beta   31.81417
_cell_angle_gamma  31.81417
_cell_volume       181.94704
_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
  Cu1 Cu 0.50000 0.50000 0.50000 1.00000
  Cu2 Cu 0.08653 0.59027 0.59027 1.00000
  Cu3 Cu 0.59027 0.59027 0.08653 1.00000
  Cu4 Cu 0.59027 0.08653 0.59027 1.00000
  Cu5 Cu 0.91347 0.40973 0.40973 1.00000
  Cu6 Cu 0.40973 0.91347 0.40973 1.00000
  Cu7 Cu 0.40973 0.40973 0.91347 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
  Ag2 Ag 0.14672 0.14672 0.14672 1.00000
  Ag3 Ag 0.85328 0.85328 0.85328 1.00000
  Ag4 Ag 0.33347 0.33347 0.33347 1.00000
  Ag5 Ag 0.66653 0.66653 0.66653 1.00000
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