Navigation

HEAS Data Platform · Materials Science Database

Ho3CuRh2

Alexandria ALEX

Alex-ID: agm034257374 · Space group: Cmmm (#65)

Basic Information

Formula
Ho3CuRh2
Alex-ID
agm034257374
Elements
3
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
120.92
ų
Cell a
7.6833
Å
Cell b
7.6833
Å
Cell c
3.4067
Å
α angle
90.00
°
β angle
90.00
°
γ angle
143.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3CuRh2
Ho
3.00 · 50.0%
Cu
1.00 · 16.7%
Rh
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0117
eV/atom
Formation energy
-0.6890
eV/atom
Corrected total energy
-36.7323
eV
Raw total energy
-36.7323
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0298
eV
DOS at Fermi level
3.0721
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_3_spg65

Decomposition

Ho6CuRh5 Ho2CuRh

Computed at

2025-04-13 15:51:27

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: agm034257374).

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 agm034257374
data_agm034257374
_cell_length_a     7.68330
_cell_length_b     7.68330
_cell_length_c     3.40670
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  143.03866
_cell_volume       120.92154
_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 0.50000 0.50000 0.00000 1.00000
  Ho2 Ho 0.16886 0.83114 0.00000 1.00000
  Ho3 Ho 0.83114 0.16886 0.00000 1.00000
  Cu1 Cu 0.00000 0.00000 0.50000 1.00000
  Rh1 Rh 0.66671 0.33329 0.50000 1.00000
  Rh2 Rh 0.33329 0.66671 0.50000 1.00000
Get direct link