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Ho6Ga2Ag

Alexandria ALEX

Alex-ID: agm005802441 · Space group: Immm (#71)

Basic Information

Formula
Ho6Ga2Ag
Alex-ID
agm005802441
Elements
3
Sites
18
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
475.55
ų
Cell a
8.5262
Å
Cell b
8.5262
Å
Cell c
8.5262
Å
α angle
105.68
°
β angle
111.88
°
γ angle
110.92
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Ga2Ag
Ho
12.00 · 66.7%
Ga
4.00 · 22.2%
Ag
2.00 · 11.1%

Energy & Stability

Energy above hull
0.0294
eV/atom
Formation energy
-0.3447
eV/atom
Corrected total energy
-78.9674
eV
Raw total energy
-78.9673
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0318
eV
DOS at Fermi level
15.0039
Total magnetisation
0.0006
μB

Additional Information

Prototype ID

AB2C6_1148_spg71

Decomposition

Ho3Ga2 Ho HoAg

Computed at

2023-07-07 04:20:41.733244

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: agm005802441).

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 agm005802441
data_agm005802441
_cell_length_a     8.52622
_cell_length_b     8.52622
_cell_length_c     8.52622
_cell_angle_alpha  105.67905
_cell_angle_beta   111.88218
_cell_angle_gamma  110.91928
_cell_volume       475.55248
_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 0.54809 0.72719 0.82090 1.00000
  Ho2 Ho 0.45191 0.27281 0.17910 1.00000
  Ho3 Ho 0.09371 0.27281 0.82090 1.00000
  Ho4 Ho 0.90629 0.72719 0.17910 1.00000
  Ho5 Ho 0.80356 0.75128 0.55484 1.00000
  Ho6 Ho 0.19644 0.24872 0.44516 1.00000
  Ho7 Ho 0.19644 0.75128 0.94772 1.00000
  Ho8 Ho 0.80356 0.24872 0.05228 1.00000
  Ho9 Ho 0.70515 0.38124 0.67609 1.00000
  Ho10 Ho 0.29485 0.61876 0.32391 1.00000
  Ho11 Ho 0.29485 0.97094 0.67609 1.00000
  Ho12 Ho 0.70515 0.02906 0.32391 1.00000
  Ga1 Ga 0.50000 0.37749 0.87749 1.00000
  Ga2 Ga 0.50000 0.62251 0.12251 1.00000
  Ga3 Ga 0.64442 1.00000 0.64442 1.00000
  Ga4 Ga 0.35558 0.00000 0.35558 1.00000
  Ag1 Ag 0.00000 0.50000 0.50000 1.00000
  Ag2 Ag 0.00000 0.00000 0.00000 1.00000
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