Navigation

HEAS Data Platform · Materials Science Database

HoGaOs

Alexandria ALEX

Alex-ID: agm002337726 · Space group: Pnma (#62)

Basic Information

Formula
HoGaOs
Alex-ID
agm002337726
Elements
3
Sites
12
Space group
Pnma (#62)
Crystal system
orthorhombic
Volume
228.70
ų
Cell a
4.4772
Å
Cell b
7.0031
Å
Cell c
7.2940
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoGaOs
Os
4.00 · 33.3%
Ho
4.00 · 33.3%
Ga
4.00 · 33.3%

Energy & Stability

Energy above hull
0.1104
eV/atom
Formation energy
-0.3912
eV/atom
Corrected total energy
-80.0444
eV
Raw total energy
-80.0444
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0027
eV
DOS at Fermi level
7.2995
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_23_spg62

Decomposition

Ho2Ga3Os HoOs2

Computed at

2019-02-27 00:44:08

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: agm002337726).

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 agm002337726
data_agm002337726
_cell_length_a     4.47723
_cell_length_b     7.00313
_cell_length_c     7.29404
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       228.70165
_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
  Os1 Os 0.75000 0.67423 0.56597 1.00000
  Os2 Os 0.25000 0.32577 0.43403 1.00000
  Os3 Os 0.75000 0.17423 0.93403 1.00000
  Os4 Os 0.25000 0.82577 0.06597 1.00000
  Ho1 Ho 0.75000 0.98899 0.30529 1.00000
  Ho2 Ho 0.25000 0.01101 0.69471 1.00000
  Ho3 Ho 0.75000 0.48899 0.19471 1.00000
  Ho4 Ho 0.25000 0.51101 0.80529 1.00000
  Ga1 Ga 0.75000 0.80491 0.89670 1.00000
  Ga2 Ga 0.25000 0.19509 0.10330 1.00000
  Ga3 Ga 0.75000 0.30491 0.60330 1.00000
  Ga4 Ga 0.25000 0.69509 0.39670 1.00000
Get direct link