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HoCoOs

Alexandria ALEX

Alex-ID: agm015048836 · Space group: Amm2 (#38)

Basic Information

Formula
HoCoOs
Alex-ID
agm015048836
Elements
3
Sites
12
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
198.17
ų
Cell a
5.1871
Å
Cell b
5.1871
Å
Cell c
8.5502
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.53
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoCoOs
Ho
4.00 · 33.3%
Co
4.00 · 33.3%
Os
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0058
eV/atom
Formation energy
-0.2751
eV/atom
Corrected total energy
-95.0298
eV
Raw total energy
-95.0298
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0073
eV
DOS at Fermi level
13.1928
Total magnetisation
0.5647
μB

Additional Information

Prototype ID

ABC_10321_spg38

Decomposition

HoCoOs

Computed at

2025-03-11 03:29:04

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: agm015048836).

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 agm015048836
data_agm015048836
_cell_length_a     5.18714
_cell_length_b     5.18714
_cell_length_c     8.55018
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.52517
_cell_volume       198.17059
_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 0.66541 0.33459 0.30799 1.00000
  Ho2 Ho 0.33043 0.66957 0.18061 1.00000
  Ho3 Ho 0.33043 0.66957 0.81939 1.00000
  Ho4 Ho 0.66541 0.33459 0.69201 1.00000
  Co1 Co 0.17364 0.82636 0.50000 1.00000
  Co2 Co 0.33530 0.17120 0.00000 1.00000
  Co3 Co 0.82880 0.66470 0.00000 1.00000
  Co4 Co 0.83572 0.16428 0.00000 1.00000
  Os1 Os 0.99707 0.00293 0.24072 1.00000
  Os2 Os 0.99707 0.00293 0.75928 1.00000
  Os3 Os 0.66241 0.82606 0.50000 1.00000
  Os4 Os 0.17394 0.33759 0.50000 1.00000
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