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Ho(Ga3Co)2

Alexandria ALEX

Alex-ID: agm003497686 · Space group: Fd-3m (#227)

Basic Information

Formula
Ho(Ga3Co)2
Alex-ID
agm003497686
Elements
3
Sites
18
Space group
Fd-3m (#227)
Crystal system
cubic
Volume
369.56
ų
Cell a
8.0550
Å
Cell b
8.0550
Å
Cell c
8.0550
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho(Ga3Co)2
Ho
2.00 · 11.1%
Ga
12.00 · 66.7%
Co
4.00 · 22.2%

Energy & Stability

Energy above hull
0.5578
eV/atom
Formation energy
0.1259
eV/atom
Corrected total energy
-71.7379
eV
Raw total energy
-71.7379
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
17.2509
Total magnetisation
-0.0019
μB

Additional Information

Prototype ID

AB2C6_177_spg227

Decomposition

Ho2(Ga3Co)3 Ga3Co

Computed at

2022-02-24 03:11:17.367246

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: agm003497686).

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 agm003497686
data_agm003497686
_cell_length_a     8.05501
_cell_length_b     8.05501
_cell_length_c     8.05501
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       369.55898
_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 0.50000 0.50000 0.50000 1.00000
  Ho2 Ho 0.75000 0.75000 0.75000 1.00000
  Ga1 Ga 0.22821 0.22821 0.77179 1.00000
  Ga2 Ga 0.77179 0.77179 0.22821 1.00000
  Ga3 Ga 0.22821 0.77179 0.22821 1.00000
  Ga4 Ga 0.22821 0.77179 0.77179 1.00000
  Ga5 Ga 0.47821 0.47821 0.02179 1.00000
  Ga6 Ga 0.47821 0.02179 0.02179 1.00000
  Ga7 Ga 0.77179 0.22821 0.77179 1.00000
  Ga8 Ga 0.02179 0.02179 0.47821 1.00000
  Ga9 Ga 0.47821 0.02179 0.47821 1.00000
  Ga10 Ga 0.02179 0.47821 0.47821 1.00000
  Ga11 Ga 0.77179 0.22821 0.22821 1.00000
  Ga12 Ga 0.02179 0.47821 0.02179 1.00000
  Co1 Co 0.12500 0.12500 0.12500 1.00000
  Co2 Co 0.12500 0.62500 0.12500 1.00000
  Co3 Co 0.12500 0.12500 0.62500 1.00000
  Co4 Co 0.62500 0.12500 0.12500 1.00000
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