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Ho3Ga4Ru

Alexandria ALEX

Alex-ID: agm003561908 · Space group: Immm (#71)

Basic Information

Formula
Ho3Ga4Ru
Alex-ID
agm003561908
Elements
3
Sites
8
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
175.44
ų
Cell a
3.5451
Å
Cell b
5.9751
Å
Cell c
8.9816
Å
α angle
109.43
°
β angle
101.38
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3Ga4Ru
Ho
3.00 · 37.5%
Ga
4.00 · 50.0%
Ru
1.00 · 12.5%

Energy & Stability

Energy above hull
0.3157
eV/atom
Formation energy
-0.3302
eV/atom
Corrected total energy
-37.7705
eV
Raw total energy
-37.7705
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.2866
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C4_206_spg44

Decomposition

Ho2Ga3Ru HoGa

Computed at

2022-03-22 12:22:06.535706

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: agm003561908).

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 agm003561908
data_agm003561908
_cell_length_a     3.54507
_cell_length_b     5.97507
_cell_length_c     8.98164
_cell_angle_alpha  109.42828
_cell_angle_beta   101.38209
_cell_angle_gamma  90.00000
_cell_volume       175.44403
_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 0.22323 0.22323 0.44647 1.00000
  Ho2 Ho 0.77677 0.77677 0.55353 1.00000
  Ho3 Ho 0.00000 0.50000 0.00000 1.00000
  Ga1 Ga 0.38224 0.61891 0.76448 1.00000
  Ga2 Ga 0.61776 0.38109 0.23552 1.00000
  Ga3 Ga 0.61776 0.85443 0.23552 1.00000
  Ga4 Ga 0.38224 0.14557 0.76448 1.00000
  Ru1 Ru 0.50000 0.00000 0.00000 1.00000
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