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Ho3Co7Ag2

Alexandria ALEX

Alex-ID: agm024583289 · Space group: R-3m (#166)

Basic Information

Formula
Ho3Co7Ag2
Alex-ID
agm024583289
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
188.08
ų
Cell a
8.9754
Å
Cell b
8.9754
Å
Cell c
8.9754
Å
α angle
32.74
°
β angle
32.74
°
γ angle
32.74
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3Co7Ag2
Ho
3.00 · 25.0%
Co
7.00 · 58.3%
Ag
2.00 · 16.7%

Energy & Stability

Energy above hull
0.1072
eV/atom
Formation energy
-0.0939
eV/atom
Corrected total energy
-70.4309
eV
Raw total energy
-70.4309
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0149
eV
DOS at Fermi level
15.1913
Total magnetisation
7.4022
μB

Additional Information

Prototype ID

A2B3C7_3_spg166

Decomposition

HoCo3 Ho2Co17 HoAg2

Computed at

2025-05-15 22:38:51

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: agm024583289).

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 agm024583289
data_agm024583289
_cell_length_a     8.97544
_cell_length_b     8.97544
_cell_length_c     8.97544
_cell_angle_alpha  32.73567
_cell_angle_beta   32.73567
_cell_angle_gamma  32.73567
_cell_volume       188.08130
_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 0.00000 0.00000 1.00000
  Ho2 Ho 0.13955 0.13955 0.13955 1.00000
  Ho3 Ho 0.86045 0.86045 0.86045 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
  Co2 Co 0.08494 0.58996 0.58996 1.00000
  Co3 Co 0.58996 0.58996 0.08494 1.00000
  Co4 Co 0.58996 0.08494 0.58996 1.00000
  Co5 Co 0.91506 0.41004 0.41004 1.00000
  Co6 Co 0.41004 0.91506 0.41004 1.00000
  Co7 Co 0.41004 0.41004 0.91506 1.00000
  Ag1 Ag 0.33385 0.33385 0.33385 1.00000
  Ag2 Ag 0.66615 0.66615 0.66615 1.00000
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