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Ho2(CuAg)5

Alexandria ALEX

Alex-ID: agm005256409 · Space group: Cm (#8)

Basic Information

Formula
Ho2(CuAg)5
Alex-ID
agm005256409
Elements
3
Sites
12
Space group
Cm (#8)
Crystal system
monoclinic
Volume
212.48
ų
Cell a
5.1864
Å
Cell b
5.1864
Å
Cell c
9.8685
Å
α angle
67.28
°
β angle
67.28
°
γ angle
64.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2(CuAg)5
Ho
2.00 · 16.7%
Cu
5.00 · 41.7%
Ag
5.00 · 41.7%

Energy & Stability

Energy above hull
0.1467
eV/atom
Formation energy
-0.0354
eV/atom
Corrected total energy
-44.6383
eV
Raw total energy
-44.6383
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0068
eV
DOS at Fermi level
6.9763
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5C5_113_spg8

Decomposition

HoAg4 HoCu4Ag Ag

Computed at

2023-04-21 15:10:20.046362

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: agm005256409).

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 agm005256409
data_agm005256409
_cell_length_a     5.18638
_cell_length_b     5.18638
_cell_length_c     9.86854
_cell_angle_alpha  67.27767
_cell_angle_beta   67.27767
_cell_angle_gamma  64.05130
_cell_volume       212.47629
_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 0.96944 0.96944 0.99126 1.00000
  Ho2 Ho 0.55722 0.55722 0.50969 1.00000
  Cu1 Cu 0.68034 0.68034 0.93266 1.00000
  Cu2 Cu 0.38430 0.38430 0.11693 1.00000
  Cu3 Cu 0.96063 0.96063 0.69330 1.00000
  Cu4 Cu 0.92781 0.92781 0.44698 1.00000
  Cu5 Cu 0.37646 0.37646 0.86386 1.00000
  Ag1 Ag 0.35607 0.85152 0.19664 1.00000
  Ag2 Ag 0.96255 0.45812 0.69611 1.00000
  Ag3 Ag 0.85152 0.35607 0.19664 1.00000
  Ag4 Ag 0.45812 0.96255 0.69611 1.00000
  Ag5 Ag 0.26556 0.26556 0.40984 1.00000
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