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Ho7Ga5Sb

Alexandria ALEX

Alex-ID: agm003679804 · Space group: Imm2 (#44)

Basic Information

Formula
Ho7Ga5Sb
Alex-ID
agm003679804
Elements
3
Sites
13
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
321.56
ų
Cell a
6.0850
Å
Cell b
7.8811
Å
Cell c
7.8811
Å
α angle
82.36
°
β angle
67.29
°
γ angle
67.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho7Ga5Sb
Ho
7.00 · 53.8%
Ga
5.00 · 38.5%
Sb
1.00 · 7.7%

Energy & Stability

Energy above hull
0.2579
eV/atom
Formation energy
-0.4249
eV/atom
Corrected total energy
-56.8422
eV
Raw total energy
-56.8422
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.3031
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5C7_33_spg44

Decomposition

Ho5(GaSb)2 HoGa Ho3Ga2

Computed at

2022-04-10 06:40:13.477355

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: agm003679804).

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 agm003679804
data_agm003679804
_cell_length_a     6.08503
_cell_length_b     7.88106
_cell_length_c     7.88106
_cell_angle_alpha  82.35771
_cell_angle_beta   67.29081
_cell_angle_gamma  67.29081
_cell_volume       321.56165
_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 0.62846 0.37154 0.37154 1.00000
  Ho2 Ho 0.24459 0.75541 0.75541 1.00000
  Ho3 Ho 0.00231 0.31221 0.68318 1.00000
  Ho4 Ho 0.00231 0.68318 0.31221 1.00000
  Ho5 Ho 0.28275 0.21725 0.21725 1.00000
  Ho6 Ho 0.53609 0.79275 0.13507 1.00000
  Ho7 Ho 0.53609 0.13507 0.79275 1.00000
  Ga1 Ga 0.50540 0.99145 0.48525 1.00000
  Ga2 Ga 0.01790 0.99145 0.48525 1.00000
  Ga3 Ga 0.50540 0.48525 0.99145 1.00000
  Ga4 Ga 0.01790 0.48525 0.99145 1.00000
  Ga5 Ga 0.77891 0.72109 0.72109 1.00000
  Sb1 Sb 0.94189 0.05811 0.05811 1.00000
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