Navigation

HEAS Data Platform · Materials Science Database

HoCd6Ag5

Alexandria ALEX

Alex-ID: agm003676093 · Space group: Cmmm (#65)

Basic Information

Formula
HoCd6Ag5
Alex-ID
agm003676093
Elements
3
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
247.77
ų
Cell a
9.3930
Å
Cell b
4.3847
Å
Cell c
7.1602
Å
α angle
72.17
°
β angle
81.72
°
γ angle
61.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoCd6Ag5
Ho
1.00 · 8.3%
Cd
6.00 · 50.0%
Ag
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0437
eV/atom
Formation energy
-0.0824
eV/atom
Corrected total energy
-25.3654
eV
Raw total energy
-25.3654
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0369
eV
DOS at Fermi level
4.3429
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5C6_47_spg65

Decomposition

Cd8Ag5 Ho11Cd45 HoCdAg2

Computed at

2022-04-09 19:26:33.900854

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: agm003676093).

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 agm003676093
data_agm003676093
_cell_length_a     9.39298
_cell_length_b     4.38467
_cell_length_c     7.16017
_cell_angle_alpha  72.17052
_cell_angle_beta   81.72333
_cell_angle_gamma  61.95590
_cell_volume       247.76775
_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
  Cd1 Cd 0.74416 0.08496 0.33757 1.00000
  Cd2 Cd 0.25584 0.57746 0.33757 1.00000
  Cd3 Cd 0.27175 0.22844 1.00000 1.00000
  Cd4 Cd 0.72825 0.77156 0.00000 1.00000
  Cd5 Cd 0.74416 0.42254 0.66243 1.00000
  Cd6 Cd 0.25584 0.91504 0.66243 1.00000
  Ag1 Ag 0.50000 0.17254 0.65492 1.00000
  Ag2 Ag 1.00000 0.33078 0.33845 1.00000
  Ag3 Ag 0.50000 0.50000 0.00000 1.00000
  Ag4 Ag 0.00000 0.66922 0.66155 1.00000
  Ag5 Ag 0.50000 0.82746 0.34508 1.00000
Get direct link