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Ce5In4Ag

Alexandria ALEX

Alex-ID: agm056450985 · Space group: Pmmm (#47)

Basic Information

Formula
Ce5In4Ag
Alex-ID
agm056450985
Elements
3
Sites
10
Space group
Pmmm (#47)
Crystal system
orthorhombic
Volume
262.11
ų
Cell a
3.2619
Å
Cell b
4.7739
Å
Cell c
16.8319
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce5In4Ag
Ce
5.00 · 50.0%
In
4.00 · 40.0%
Ag
1.00 · 10.0%

Energy & Stability

Energy above hull
0.0128
eV/atom
Formation energy
-0.2991
eV/atom
Corrected total energy
-46.5904
eV
Raw total energy
-46.5904
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0004
eV
DOS at Fermi level
25.3942
Total magnetisation
4.5454
μB

Additional Information

Prototype ID

AB4C5_22_spg123

Decomposition

Ce2InAg2 Ce2In CeIn

Computed at

2024-12-10 11:08:15

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: agm056450985).

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 agm056450985
data_agm056450985
_cell_length_a     3.26194
_cell_length_b     4.77395
_cell_length_c     16.83194
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       262.11229
_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 0.00000 0.00000 0.58480 1.00000
  Ce2 Ce 0.00000 0.00000 0.79294 1.00000
  Ce3 Ce 0.00000 0.00000 0.00000 1.00000
  Ce4 Ce 0.00000 0.00000 0.20706 1.00000
  Ce5 Ce 0.00000 0.00000 0.41520 1.00000
  In1 In 0.50000 0.50000 0.68936 1.00000
  In2 In 0.50000 0.50000 0.89731 1.00000
  In3 In 0.50000 0.50000 0.10269 1.00000
  In4 In 0.50000 0.50000 0.31064 1.00000
  Ag1 Ag 0.50000 0.50000 0.50000 1.00000
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