Navigation

HEAS Data Platform · Materials Science Database

Ho2GaFe2Co5

Alexandria ALEX

Alex-ID: agm005141369 · Space group: P4/mbm (#127)

Basic Information

Formula
Ho2GaFe2Co5
Alex-ID
agm005141369
Elements
4
Sites
20
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
291.21
ų
Cell a
3.6035
Å
Cell b
8.9896
Å
Cell c
8.9896
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2GaFe2Co5
Ho
4.00 · 20.0%
Ga
2.00 · 10.0%
Fe
4.00 · 20.0%
Co
10.00 · 50.0%

Energy & Stability

Energy above hull
0.1872
eV/atom
Formation energy
-0.0535
eV/atom
Corrected total energy
-130.5317
eV
Raw total energy
-130.5317
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0182
eV
DOS at Fermi level
20.1986
Total magnetisation
20.6770
μB

Additional Information

Prototype ID

AB2C2D5_48_spg127

Decomposition

Ho3Fe2Co7 Ho6Ga7Co16 Fe4Co3 HoGaCo

Computed at

2022-07-14 18:57:37.957652

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: agm005141369).

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 agm005141369
data_agm005141369
_cell_length_a     3.60350
_cell_length_b     8.98965
_cell_length_c     8.98965
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       291.21195
_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 0.00000 0.68251 0.18251 1.00000
  Ho2 Ho 0.00000 0.31749 0.81749 1.00000
  Ho3 Ho 0.00000 0.18251 0.31749 1.00000
  Ho4 Ho 0.00000 0.81749 0.68251 1.00000
  Ga1 Ga 0.00000 0.00000 0.00000 1.00000
  Ga2 Ga 0.00000 0.50000 0.50000 1.00000
  Fe1 Fe 0.00000 0.11488 0.61488 1.00000
  Fe2 Fe 0.00000 0.88512 0.38512 1.00000
  Fe3 Fe 0.00000 0.61488 0.88512 1.00000
  Fe4 Fe 0.00000 0.38512 0.11488 1.00000
  Co1 Co 0.50000 0.20771 0.05783 1.00000
  Co2 Co 0.50000 0.79229 0.94217 1.00000
  Co3 Co 0.50000 0.05783 0.79229 1.00000
  Co4 Co 0.50000 0.70771 0.44217 1.00000
  Co5 Co 0.50000 0.94217 0.20771 1.00000
  Co6 Co 0.50000 0.29229 0.55783 1.00000
  Co7 Co 0.50000 0.55783 0.70771 1.00000
  Co8 Co 0.50000 0.44217 0.29229 1.00000
  Co9 Co 0.50000 0.50000 0.00000 1.00000
  Co10 Co 0.50000 0.00000 0.50000 1.00000
Get direct link