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Ho3Ag2Rh

Alexandria ALEX

Alex-ID: agm017398480 · Space group: Cmmm (#65)

Basic Information

Formula
Ho3Ag2Rh
Alex-ID
agm017398480
Elements
3
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
268.72
ų
Cell a
7.8445
Å
Cell b
7.8445
Å
Cell c
7.2639
Å
α angle
90.00
°
β angle
90.00
°
γ angle
143.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3Ag2Rh
Ho
6.00 · 50.0%
Ag
4.00 · 33.3%
Rh
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0100
eV/atom
Formation energy
-0.5153
eV/atom
Corrected total energy
-59.7625
eV
Raw total energy
-59.7625
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0447
eV
DOS at Fermi level
8.1307
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_1177_spg12

Decomposition

Ho2AgRh HoAg

Computed at

2025-04-15 08:38:01

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: agm017398480).

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 agm017398480
data_agm017398480
_cell_length_a     7.84454
_cell_length_b     7.84454
_cell_length_c     7.26388
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  143.04604
_cell_volume       268.72193
_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
  Ho1 Ho 0.32849 0.67151 0.76710 1.00000
  Ho2 Ho 0.00000 0.00000 0.23850 1.00000
  Ho3 Ho 0.67151 0.32849 0.23290 1.00000
  Ho4 Ho 0.32849 0.67151 0.23290 1.00000
  Ho5 Ho 0.67151 0.32849 0.76710 1.00000
  Ho6 Ho 0.00000 0.00000 0.76150 1.00000
  Ag1 Ag 0.50000 0.50000 0.00000 1.00000
  Ag2 Ag 0.50000 0.50000 0.50000 1.00000
  Ag3 Ag 0.83344 0.16656 0.50000 1.00000
  Ag4 Ag 0.16656 0.83344 0.50000 1.00000
  Rh1 Rh 0.83530 0.16470 0.00000 1.00000
  Rh2 Rh 0.16470 0.83530 0.00000 1.00000
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