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Ho2Ga3Co

Alexandria ALEX

Alex-ID: agm034354644 · Space group: R-3m (#166)

Basic Information

Formula
Ho2Ga3Co
Alex-ID
agm034354644
Elements
3
Sites
6
Space group
R-3m (#166)
Crystal system
trigonal
Volume
108.51
ų
Cell a
5.2836
Å
Cell b
5.2836
Å
Cell c
5.2836
Å
α angle
61.80
°
β angle
61.80
°
γ angle
61.80
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Ga3Co
Ho
2.00 · 33.3%
Ga
3.00 · 50.0%
Co
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0845
eV/atom
Formation energy
-0.4889
eV/atom
Corrected total energy
-28.3024
eV
Raw total energy
-28.3024
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0193
eV
DOS at Fermi level
4.2732
Total magnetisation
0.1920
μB

Additional Information

Prototype ID

AB2C3_2032_spg146

Decomposition

HoGa2Co HoGaCo Ho3Ga5

Computed at

2025-04-13 18:18:19

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: agm034354644).

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 agm034354644
data_agm034354644
_cell_length_a     5.28362
_cell_length_b     5.28362
_cell_length_c     5.28362
_cell_angle_alpha  61.80443
_cell_angle_beta   61.80443
_cell_angle_gamma  61.80443
_cell_volume       108.51421
_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 0.62602 0.62602 0.62602 1.00000
  Ho2 Ho 0.37398 0.37398 0.37398 1.00000
  Ga1 Ga 0.50000 0.00000 0.00000 1.00000
  Ga2 Ga 0.00000 0.50000 0.00000 1.00000
  Ga3 Ga 0.00000 0.00000 0.50000 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
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