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Ho3(Ga2Co)2

Alexandria ALEX

Alex-ID: agm005287158 · Space group: Cm (#8)

Basic Information

Formula
Ho3(Ga2Co)2
Alex-ID
agm005287158
Elements
3
Sites
18
Space group
Cm (#8)
Crystal system
monoclinic
Volume
335.92
ų
Cell a
5.7034
Å
Cell b
5.7034
Å
Cell c
15.5799
Å
α angle
76.52
°
β angle
76.52
°
γ angle
43.21
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3(Ga2Co)2
Ho
6.00 · 33.3%
Ga
8.00 · 44.4%
Co
4.00 · 22.2%

Energy & Stability

Energy above hull
0.0275
eV/atom
Formation energy
-0.5215
eV/atom
Corrected total energy
-89.5872
eV
Raw total energy
-89.5871
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0019
eV
DOS at Fermi level
14.1483
Total magnetisation
1.0732
μB

Additional Information

Prototype ID

A2B3C4_48_spg8

Decomposition

HoGa2Co HoGaCo Ho3Ga5

Computed at

2023-05-07 13:08:48.063356

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: agm005287158).

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 agm005287158
data_agm005287158
_cell_length_a     5.70338
_cell_length_b     5.70338
_cell_length_c     15.57987
_cell_angle_alpha  76.52451
_cell_angle_beta   76.52451
_cell_angle_gamma  43.21178
_cell_volume       335.92200
_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 0.71330 0.71330 0.26487 1.00000
  Ho2 Ho 0.37986 0.37986 0.92510 1.00000
  Ho3 Ho 0.04307 0.04307 0.61032 1.00000
  Ho4 Ho 0.61805 0.61805 0.06232 1.00000
  Ho5 Ho 0.28762 0.28762 0.73184 1.00000
  Ho6 Ho 0.94993 0.94993 0.40001 1.00000
  Ga1 Ga 0.60640 0.60640 0.46686 1.00000
  Ga2 Ga 0.27747 0.27747 0.12748 1.00000
  Ga3 Ga 0.09517 0.09517 0.91348 1.00000
  Ga4 Ga 0.76414 0.76414 0.58758 1.00000
  Ga5 Ga 0.43199 0.43199 0.25303 1.00000
  Ga6 Ga 0.57380 0.57380 0.75251 1.00000
  Ga7 Ga 0.24587 0.24587 0.41889 1.00000
  Ga8 Ga 0.91681 0.91681 0.07695 1.00000
  Co1 Co 0.72538 0.72538 0.86293 1.00000
  Co2 Co 0.37749 0.37749 0.54041 1.00000
  Co3 Co 0.04694 0.04694 0.20478 1.00000
  Co4 Co 0.94672 0.94672 0.80064 1.00000
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