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Ce3(Al2Ag)2

Alexandria ALEX

Alex-ID: agm003339261 · Space group: C2/m (#12)

Basic Information

Formula
Ce3(Al2Ag)2
Alex-ID
agm003339261
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
196.81
ų
Cell a
4.7716
Å
Cell b
5.8676
Å
Cell c
8.9047
Å
α angle
117.38
°
β angle
90.00
°
γ angle
113.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce3(Al2Ag)2
Ce
3.00 · 33.3%
Al
4.00 · 44.4%
Ag
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0781
eV/atom
Formation energy
-0.3143
eV/atom
Corrected total energy
-41.3146
eV
Raw total energy
-41.3146
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0066
eV
DOS at Fermi level
15.9110
Total magnetisation
2.6669
μB

Additional Information

Prototype ID

A2B3C4_139_spg2

Decomposition

Ce2Al3Ag CeAg2

Computed at

2022-01-27 00:12:11.271715

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: agm003339261).

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 agm003339261
data_agm003339261
_cell_length_a     4.77161
_cell_length_b     5.86758
_cell_length_c     8.90470
_cell_angle_alpha  117.37859
_cell_angle_beta   90.00000
_cell_angle_gamma  113.99194
_cell_volume       196.81350
_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 0.64596 0.29192 0.65684 1.00000
  Ce2 Ce 0.00000 0.00000 0.00000 1.00000
  Ce3 Ce 0.35404 0.70808 0.34316 1.00000
  Al1 Al 0.74016 0.48032 0.06956 1.00000
  Al2 Al 0.25984 0.51968 0.93044 1.00000
  Al3 Al 0.94437 0.88874 0.61891 1.00000
  Al4 Al 0.05563 0.11126 0.38109 1.00000
  Ag1 Ag 0.63075 0.26150 0.28736 1.00000
  Ag2 Ag 0.36925 0.73850 0.71264 1.00000
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