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Ho2InRh3

Alexandria ALEX

Alex-ID: agm032119081 · Space group: Cmmm (#65)

Basic Information

Formula
Ho2InRh3
Alex-ID
agm032119081
Elements
3
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
112.31
ų
Cell a
7.3522
Å
Cell b
7.3522
Å
Cell c
3.4873
Å
α angle
90.00
°
β angle
90.00
°
γ angle
143.43
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2InRh3
Ho
2.00 · 33.3%
In
1.00 · 16.7%
Rh
3.00 · 50.0%

Energy & Stability

Energy above hull
0.0234
eV/atom
Formation energy
-0.7945
eV/atom
Corrected total energy
-38.7482
eV
Raw total energy
-38.7482
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0650
eV
DOS at Fermi level
2.0046
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_871_spg71

Decomposition

HoInRh2 HoRh

Computed at

2025-04-14 06:16:39

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: agm032119081).

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 agm032119081
data_agm032119081
_cell_length_a     7.35220
_cell_length_b     7.35220
_cell_length_c     3.48728
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  143.43201
_cell_volume       112.30659
_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 0.83835 0.16165 0.00000 1.00000
  Ho2 Ho 0.16165 0.83835 0.00000 1.00000
  In1 In 0.50000 0.50000 0.00000 1.00000
  Rh1 Rh 0.00000 0.00000 0.50000 1.00000
  Rh2 Rh 0.66386 0.33614 0.50000 1.00000
  Rh3 Rh 0.33614 0.66386 0.50000 1.00000
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