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Ho4CdPtRh2

Alexandria ALEX

Alex-ID: agm004789709 · Space group: R-3m (#166)

Basic Information

Formula
Ho4CdPtRh2
Alex-ID
agm004789709
Elements
4
Sites
8
Space group
R-3m (#166)
Crystal system
trigonal
Volume
171.95
ų
Cell a
4.9502
Å
Cell b
4.9502
Å
Cell c
8.5921
Å
α angle
73.26
°
β angle
73.26
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4CdPtRh2
Ho
4.00 · 50.0%
Cd
1.00 · 12.5%
Pt
1.00 · 12.5%
Rh
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0612
eV/atom
Formation energy
-0.8080
eV/atom
Corrected total energy
-46.4926
eV
Raw total energy
-46.4926
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0007
eV
DOS at Fermi level
4.5093
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D4_337_spg166

Decomposition

Ho9Cd5Rh4 HoRh HoPt

Computed at

2022-07-19 12:54:09.260555

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: agm004789709).

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 agm004789709
data_agm004789709
_cell_length_a     4.95018
_cell_length_b     4.95018
_cell_length_c     8.59207
_cell_angle_alpha  73.25776
_cell_angle_beta   73.25776
_cell_angle_gamma  60.00000
_cell_volume       171.95218
_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 0.38018 0.38018 0.85945 1.00000
  Ho2 Ho 0.87059 0.87059 0.38823 1.00000
  Ho3 Ho 0.12941 0.12941 0.61177 1.00000
  Ho4 Ho 0.61982 0.61982 0.14055 1.00000
  Cd1 Cd 0.00000 0.00000 0.00000 1.00000
  Pt1 Pt 0.50000 0.50000 0.50000 1.00000
  Rh1 Rh 0.74775 0.74775 0.75675 1.00000
  Rh2 Rh 0.25225 0.25225 0.24325 1.00000
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