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Cu5Ag

Alexandria ALEX

Alex-ID: agm003204271 · Space group: Cm (#8)

Basic Information

Formula
Cu5Ag
Alex-ID
agm003204271
Elements
2
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
78.20
ų
Cell a
5.0734
Å
Cell b
5.0734
Å
Cell c
10.0007
Å
α angle
140.55
°
β angle
140.55
°
γ angle
30.44
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cu5Ag
Ag
1.00 · 16.7%
Cu
5.00 · 83.3%

Energy & Stability

Energy above hull
0.1183
eV/atom
Formation energy
0.1183
eV/atom
Corrected total energy
-22.9410
eV
Raw total energy
-22.9410
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0303
eV
DOS at Fermi level
1.5934
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5_2_spg8

Decomposition

Ag Cu

Computed at

2021-12-03 00:43:47.654162

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: agm003204271).

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 agm003204271
data_agm003204271
_cell_length_a     5.07336
_cell_length_b     5.07336
_cell_length_c     10.00067
_cell_angle_alpha  140.55308
_cell_angle_beta   140.55308
_cell_angle_gamma  30.44056
_cell_volume       78.19877
_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 0.99607 0.99607 0.98813 1.00000
  Cu1 Cu 0.09854 0.09854 0.72257 1.00000
  Cu2 Cu 0.31531 0.31531 0.64232 1.00000
  Cu3 Cu 0.45317 0.45317 0.40275 1.00000
  Cu4 Cu 0.67134 0.67134 0.33668 1.00000
  Cu5 Cu 0.79890 0.79890 0.07422 1.00000
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