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Ce2HoRh3

Alexandria ALEX

Alex-ID: agm015463944 · Space group: Cmmm (#65)

Basic Information

Formula
Ce2HoRh3
Alex-ID
agm015463944
Elements
3
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
249.01
ų
Cell a
7.7124
Å
Cell b
7.7124
Å
Cell c
7.0179
Å
α angle
90.00
°
β angle
90.00
°
γ angle
143.38
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2HoRh3
Ce
4.00 · 33.3%
Ho
2.00 · 16.7%
Rh
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0799
eV/atom
Formation energy
-0.7442
eV/atom
Corrected total energy
-85.9313
eV
Raw total energy
-85.9313
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
15.2708
Total magnetisation
1.2266
μB

Additional Information

Prototype ID

AB2C3_2512_spg10

Decomposition

HoRh CeRh

Computed at

2025-04-14 06:46:56

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: agm015463944).

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 agm015463944
data_agm015463944
_cell_length_a     7.71237
_cell_length_b     7.71237
_cell_length_c     7.01785
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  143.37741
_cell_volume       249.01219
_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
  Ce1 Ce 0.00000 0.00000 0.00000 1.00000
  Ce2 Ce 0.00000 0.00000 0.50000 1.00000
  Ce3 Ce 0.33378 0.66622 0.50000 1.00000
  Ce4 Ce 0.66622 0.33378 0.50000 1.00000
  Ho1 Ho 0.33065 0.66935 0.00000 1.00000
  Ho2 Ho 0.66935 0.33065 0.00000 1.00000
  Rh1 Rh 0.83485 0.16515 0.74436 1.00000
  Rh2 Rh 0.50000 0.50000 0.23115 1.00000
  Rh3 Rh 0.16515 0.83485 0.25564 1.00000
  Rh4 Rh 0.83485 0.16515 0.25564 1.00000
  Rh5 Rh 0.16515 0.83485 0.74436 1.00000
  Rh6 Rh 0.50000 0.50000 0.76885 1.00000
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