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AgRh4

Alexandria ALEX

Alex-ID: agm005410008 · Space group: C2/m (#12)

Basic Information

Formula
AgRh4
Alex-ID
agm005410008
Elements
2
Sites
5
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
74.09
ų
Cell a
4.7750
Å
Cell b
4.7750
Å
Cell c
6.7767
Å
α angle
61.68
°
β angle
61.68
°
γ angle
33.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AgRh4
Ag
1.00 · 20.0%
Rh
4.00 · 80.0%

Energy & Stability

Energy above hull
0.1585
eV/atom
Formation energy
0.1585
eV/atom
Corrected total energy
-31.4646
eV
Raw total energy
-31.4646
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.0939
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4_2_spg12

Decomposition

Rh Ag

Computed at

2023-03-17 20:07:37.157271

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: agm005410008).

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 agm005410008
data_agm005410008
_cell_length_a     4.77501
_cell_length_b     4.77501
_cell_length_c     6.77670
_cell_angle_alpha  61.68307
_cell_angle_beta   61.68307
_cell_angle_gamma  33.50200
_cell_volume       74.08663
_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
  Rh1 Rh 0.39438 0.39438 0.41545 1.00000
  Rh2 Rh 0.80601 0.80601 0.79597 1.00000
  Rh3 Rh 0.19399 0.19399 0.20403 1.00000
  Rh4 Rh 0.60562 0.60562 0.58455 1.00000
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