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CuAg14Ge

Alexandria ALEX

Alex-ID: agm005807036 · Space group: Amm2 (#38)

Basic Information

Formula
CuAg14Ge
Alex-ID
agm005807036
Elements
3
Sites
16
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
283.40
ų
Cell a
5.8343
Å
Cell b
5.8343
Å
Cell c
9.5990
Å
α angle
90.00
°
β angle
90.00
°
γ angle
119.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CuAg14Ge
Cu
1.00 · 6.3%
Ag
14.00 · 87.5%
Ge
1.00 · 6.3%

Energy & Stability

Energy above hull
0.0766
eV/atom
Formation energy
0.0766
eV/atom
Corrected total energy
-47.4692
eV
Raw total energy
-47.4692
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.9006
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC14_20_spg38

Decomposition

Cu Ag Ge

Computed at

2023-07-18 17:27:26.401335

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: agm005807036).

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 agm005807036
data_agm005807036
_cell_length_a     5.83433
_cell_length_b     5.83433
_cell_length_c     9.59904
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  119.84734
_cell_volume       283.40411
_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 0.04264 0.95736 0.50000 1.00000
  Ag1 Ag 0.20660 0.79340 0.00000 1.00000
  Ag2 Ag 0.70659 0.29341 0.00000 1.00000
  Ag3 Ag 0.04586 0.45554 0.50000 1.00000
  Ag4 Ag 0.20789 0.29166 0.00000 1.00000
  Ag5 Ag 0.54446 0.95414 0.50000 1.00000
  Ag6 Ag 0.70834 0.79211 0.00000 1.00000
  Ag7 Ag 0.37147 0.12468 0.74431 1.00000
  Ag8 Ag 0.37147 0.12468 0.25569 1.00000
  Ag9 Ag 0.87532 0.62853 0.74431 1.00000
  Ag10 Ag 0.87532 0.62853 0.25569 1.00000
  Ag11 Ag 0.37446 0.62554 0.75198 1.00000
  Ag12 Ag 0.37446 0.62554 0.24802 1.00000
  Ag13 Ag 0.87590 0.12410 0.74816 1.00000
  Ag14 Ag 0.87590 0.12410 0.25184 1.00000
  Ge1 Ge 0.54331 0.45669 0.50000 1.00000
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