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Ho4FeRh

Alexandria ALEX

Alex-ID: agm005859862 · Space group: C2/c (#15)

Basic Information

Formula
Ho4FeRh
Alex-ID
agm005859862
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
286.77
ų
Cell a
6.1519
Å
Cell b
7.3970
Å
Cell c
7.7567
Å
α angle
114.16
°
β angle
108.39
°
γ angle
99.80
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4FeRh
Ho
8.00 · 66.7%
Fe
2.00 · 16.7%
Rh
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0584
eV/atom
Formation energy
-0.3280
eV/atom
Corrected total energy
-72.1925
eV
Raw total energy
-72.1925
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0025
eV
DOS at Fermi level
11.2498
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1313_spg15

Decomposition

Ho3Fe Ho3Rh HoFe2

Computed at

2023-07-28 06:19:41.897308

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: agm005859862).

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 agm005859862
data_agm005859862
_cell_length_a     6.15194
_cell_length_b     7.39702
_cell_length_c     7.75668
_cell_angle_alpha  114.16215
_cell_angle_beta   108.38502
_cell_angle_gamma  99.79976
_cell_volume       286.77250
_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 0.01041 0.23364 0.87542 1.00000
  Ho2 Ho 0.79437 0.69740 0.64836 1.00000
  Ho3 Ho 0.36501 0.64178 0.87542 1.00000
  Ho4 Ho 0.35399 0.95096 0.64836 1.00000
  Ho5 Ho 0.64601 0.04904 0.35164 1.00000
  Ho6 Ho 0.63499 0.35822 0.12458 1.00000
  Ho7 Ho 0.20563 0.30260 0.35164 1.00000
  Ho8 Ho 0.98959 0.76636 0.12458 1.00000
  Fe1 Fe 0.25100 0.00100 0.00201 1.00000
  Fe2 Fe 0.74900 0.99900 0.99799 1.00000
  Rh1 Rh 0.38662 0.63662 0.27324 1.00000
  Rh2 Rh 0.61338 0.36338 0.72676 1.00000
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