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Ho2Co5Ge4

Alexandria ALEX

Alex-ID: agm003365293 · Space group: Fmmm (#69)

Basic Information

Formula
Ho2Co5Ge4
Alex-ID
agm003365293
Elements
3
Sites
11
Space group
Fmmm (#69)
Crystal system
orthorhombic
Volume
171.09
ų
Cell a
5.3559
Å
Cell b
5.3225
Å
Cell c
7.4433
Å
α angle
79.57
°
β angle
68.91
°
γ angle
59.79
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Co5Ge4
Ho
2.00 · 18.2%
Co
5.00 · 45.5%
Ge
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0848
eV/atom
Formation energy
-0.4633
eV/atom
Corrected total energy
-68.3413
eV
Raw total energy
-68.3413
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.2217
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_154_spg69

Decomposition

Ho(CoGe)2 Co

Computed at

2022-02-05 01:32:54.580659

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: agm003365293).

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 agm003365293
data_agm003365293
_cell_length_a     5.35587
_cell_length_b     5.32249
_cell_length_c     7.44326
_cell_angle_alpha  79.57093
_cell_angle_beta   68.91332
_cell_angle_gamma  59.79232
_cell_volume       171.08988
_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 0.87161 1.00000 0.25678 1.00000
  Ho2 Ho 0.12839 0.00000 0.74322 1.00000
  Co1 Co 0.50000 0.00000 0.00000 1.00000
  Co2 Co 0.00000 0.50000 0.00000 1.00000
  Co3 Co 0.50000 0.50000 0.00000 1.00000
  Co4 Co 0.25000 0.50000 0.50000 1.00000
  Co5 Co 0.75000 0.50000 0.50000 1.00000
  Ge1 Ge 0.47396 0.31308 0.73901 1.00000
  Ge2 Ge 0.52604 0.68692 0.26099 1.00000
  Ge3 Ge 0.21296 0.31308 0.26099 1.00000
  Ge4 Ge 0.78704 0.68692 0.73901 1.00000
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