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Ce(GaAg)2

Alexandria ALEX

Alex-ID: agm012240656 · Space group: I4/mmm (#139)

Basic Information

Formula
Ce(GaAg)2
Alex-ID
agm012240656
Elements
3
Sites
5
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
103.47
ų
Cell a
6.2041
Å
Cell b
6.2041
Å
Cell c
6.2041
Å
α angle
138.57
°
β angle
138.57
°
γ angle
60.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce(GaAg)2
Ce
1.00 · 20.0%
Ga
2.00 · 40.0%
Ag
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0294
eV/atom
Formation energy
-0.3248
eV/atom
Corrected total energy
-19.3190
eV
Raw total energy
-19.3190
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.5607
Total magnetisation
0.7829
μB

Additional Information

Prototype ID

AB2C2_5_spg139

Decomposition

CeGa2Ag Ag

Computed at

2025-01-20 19:22:56

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: agm012240656).

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 agm012240656
data_agm012240656
_cell_length_a     6.20408
_cell_length_b     6.20408
_cell_length_c     6.20408
_cell_angle_alpha  138.57477
_cell_angle_beta   138.57477
_cell_angle_gamma  60.02385
_cell_volume       103.46525
_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
  Ce1 Ce 0.50000 0.50000 0.00000 1.00000
  Ga1 Ga 0.88703 0.88703 0.00000 1.00000
  Ga2 Ga 0.11297 0.11297 0.00000 1.00000
  Ag1 Ag 0.25000 0.75000 0.50000 1.00000
  Ag2 Ag 0.75000 0.25000 0.50000 1.00000
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