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Ho2Rh3

Alexandria ALEX

Alex-ID: agm007909770 · Space group: Immm (#71)

Basic Information

Formula
Ho2Rh3
Alex-ID
agm007909770
Elements
2
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
98.09
ų
Cell a
5.3565
Å
Cell b
5.3565
Å
Cell c
5.3565
Å
α angle
130.64
°
β angle
119.13
°
γ angle
82.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Rh3
Ho
2.00 · 40.0%
Rh
3.00 · 60.0%

Energy & Stability

Energy above hull
0.0751
eV/atom
Formation energy
-0.7402
eV/atom
Corrected total energy
-34.9126
eV
Raw total energy
-34.9126
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.9446
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3_3818_spg12

Decomposition

HoRh2 HoRh

Computed at

2024-03-07 15:05:46.693261

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: agm007909770).

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 agm007909770
data_agm007909770
_cell_length_a     5.35648
_cell_length_b     5.35648
_cell_length_c     5.35648
_cell_angle_alpha  130.63716
_cell_angle_beta   119.12588
_cell_angle_gamma  82.06807
_cell_volume       98.09405
_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 0.20628 0.70628 0.50000 1.00000
  Ho2 Ho 0.79372 0.29372 0.50000 1.00000
  Rh1 Rh 0.50000 0.50000 0.00000 1.00000
  Rh2 Rh 0.76517 0.00000 0.76517 1.00000
  Rh3 Rh 0.23483 0.00000 0.23483 1.00000
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