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CdGaAg4

Alexandria ALEX

Alex-ID: agm077933799 · Space group: Amm2 (#38)

Basic Information

Formula
CdGaAg4
Alex-ID
agm077933799
Elements
3
Sites
6
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
108.86
ų
Cell a
7.7671
Å
Cell b
7.7671
Å
Cell c
4.7659
Å
α angle
90.00
°
β angle
90.00
°
γ angle
157.75
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CdGaAg4
Cd
1.00 · 16.7%
Ga
1.00 · 16.7%
Ag
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0325
eV/atom
Formation energy
-0.0171
eV/atom
Corrected total energy
-15.4608
eV
Raw total energy
-15.4608
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.1694
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_464_spg38

Decomposition

GaAg3 CdAg3 Ga4Ag3

Computed at

2025-04-14 10:27:44

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: agm077933799).

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 agm077933799
data_agm077933799
_cell_length_a     7.76709
_cell_length_b     7.76709
_cell_length_c     4.76585
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  157.75196
_cell_volume       108.85710
_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
  Cd1 Cd 0.74170 0.25830 0.50000 1.00000
  Ga1 Ga 0.51768 0.48232 0.00000 1.00000
  Ag1 Ag 0.07125 0.92875 0.50000 1.00000
  Ag2 Ag 0.18341 0.81659 0.00000 1.00000
  Ag3 Ag 0.40907 0.59093 0.50000 1.00000
  Ag4 Ag 0.85485 0.14515 0.00000 1.00000
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