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Ag5Rh4

Alexandria ALEX

Alex-ID: agm005504772 · Space group: I4/mmm (#139)

Basic Information

Formula
Ag5Rh4
Alex-ID
agm005504772
Elements
2
Sites
9
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
145.90
ų
Cell a
6.3686
Å
Cell b
6.3686
Å
Cell c
6.3686
Å
α angle
95.63
°
β angle
95.63
°
γ angle
143.51
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag5Rh4
Ag
5.00 · 55.6%
Rh
4.00 · 44.4%

Energy & Stability

Energy above hull
0.2265
eV/atom
Formation energy
0.2265
eV/atom
Corrected total energy
-41.6236
eV
Raw total energy
-41.6236
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.3925
Total magnetisation
0.0200
μB

Additional Information

Prototype ID

A4B5_4_spg139

Decomposition

Rh Ag

Computed at

2023-03-19 14:45:14.980952

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: agm005504772).

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 agm005504772
data_agm005504772
_cell_length_a     6.36862
_cell_length_b     6.36862
_cell_length_c     6.36862
_cell_angle_alpha  95.62614
_cell_angle_beta   95.62614
_cell_angle_gamma  143.50667
_cell_volume       145.89781
_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
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
  Ag2 Ag 0.33204 0.33204 0.66408 1.00000
  Ag3 Ag 0.33204 0.66796 0.00000 1.00000
  Ag4 Ag 0.66796 0.33204 0.00000 1.00000
  Ag5 Ag 0.66796 0.66796 0.33592 1.00000
  Rh1 Rh 0.00000 0.34967 0.34967 1.00000
  Rh2 Rh 0.00000 0.65033 0.65033 1.00000
  Rh3 Rh 0.34967 0.00000 0.34967 1.00000
  Rh4 Rh 0.65033 0.00000 0.65033 1.00000
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