Navigation

HEAS Data Platform · Materials Science Database

Ho12Al5Ag2

Alexandria ALEX

Alex-ID: agm003370455 · Space group: C2/m (#12)

Basic Information

Formula
Ho12Al5Ag2
Alex-ID
agm003370455
Elements
3
Sites
19
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
512.56
ų
Cell a
8.3250
Å
Cell b
8.5470
Å
Cell c
8.2522
Å
α angle
88.39
°
β angle
90.00
°
γ angle
119.14
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho12Al5Ag2
Ho
12.00 · 63.2%
Al
5.00 · 26.3%
Ag
2.00 · 10.5%

Energy & Stability

Energy above hull
0.2291
eV/atom
Formation energy
-0.0714
eV/atom
Corrected total energy
-80.7296
eV
Raw total energy
-80.7296
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
18.7971
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

A2B5C12_50_spg12

Decomposition

Ho2Al HoAg

Computed at

2022-02-06 12:44:49.850846

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: agm003370455).

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 agm003370455
data_agm003370455
_cell_length_a     8.32504
_cell_length_b     8.54697
_cell_length_c     8.25215
_cell_angle_alpha  88.38614
_cell_angle_beta   90.00000
_cell_angle_gamma  119.14471
_cell_volume       512.56484
_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 0.94109 0.88218 0.16009 1.00000
  Ho2 Ho 0.02685 0.65791 0.84720 1.00000
  Ho3 Ho 0.63106 0.65791 0.84720 1.00000
  Ho4 Ho 0.13266 0.71589 0.41653 1.00000
  Ho5 Ho 0.58323 0.71589 0.41653 1.00000
  Ho6 Ho 0.46291 0.92583 0.70281 1.00000
  Ho7 Ho 0.53709 0.07417 0.29719 1.00000
  Ho8 Ho 0.86734 0.28411 0.58347 1.00000
  Ho9 Ho 0.41677 0.28411 0.58347 1.00000
  Ho10 Ho 0.97315 0.34209 0.15280 1.00000
  Ho11 Ho 0.36894 0.34209 0.15280 1.00000
  Ho12 Ho 0.05891 0.11782 0.83991 1.00000
  Al1 Al 0.25726 0.51452 0.69810 1.00000
  Al2 Al 0.34984 0.69968 0.08396 1.00000
  Al3 Al 0.00000 0.00000 0.50000 1.00000
  Al4 Al 0.65016 0.30032 0.91604 1.00000
  Al5 Al 0.74274 0.48548 0.30190 1.00000
  Ag1 Ag 0.68620 1.00000 0.00000 1.00000
  Ag2 Ag 0.31380 0.00000 1.00000 1.00000
Get direct link