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Ag4Rh

Alexandria ALEX

Alex-ID: agm005408331 · Space group: I4/mmm (#139)

Basic Information

Formula
Ag4Rh
Alex-ID
agm005408331
Elements
2
Sites
5
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
96.13
ų
Cell a
7.3917
Å
Cell b
7.3917
Å
Cell c
7.3917
Å
α angle
150.76
°
β angle
150.76
°
γ angle
41.82
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag4Rh
Ag
4.00 · 80.0%
Rh
1.00 · 20.0%

Energy & Stability

Energy above hull
0.5538
eV/atom
Formation energy
0.5538
eV/atom
Corrected total energy
-15.9876
eV
Raw total energy
-15.9876
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0189
eV
DOS at Fermi level
4.7842
Total magnetisation
0.7758
μB

Additional Information

Prototype ID

AB4_10_spg139

Decomposition

Rh Ag

Computed at

2023-03-17 20:10:36.518813

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: agm005408331).

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 agm005408331
data_agm005408331
_cell_length_a     7.39167
_cell_length_b     7.39167
_cell_length_c     7.39167
_cell_angle_alpha  150.76190
_cell_angle_beta   150.76190
_cell_angle_gamma  41.82415
_cell_volume       96.12633
_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 0.75000 0.25000 0.50000 1.00000
  Ag2 Ag 0.40483 0.40483 0.00000 1.00000
  Ag3 Ag 0.59517 0.59517 0.00000 1.00000
  Ag4 Ag 0.25000 0.75000 0.50000 1.00000
  Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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