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Ho12Al5Ga2

Alexandria ALEX

Alex-ID: agm003370666 · Space group: C2/m (#12)

Basic Information

Formula
Ho12Al5Ga2
Alex-ID
agm003370666
Elements
3
Sites
19
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
503.22
ų
Cell a
8.5124
Å
Cell b
8.5429
Å
Cell c
8.0026
Å
α angle
86.34
°
β angle
90.00
°
γ angle
119.88
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho12Al5Ga2
Ho
12.00 · 63.2%
Al
5.00 · 26.3%
Ga
2.00 · 10.5%

Energy & Stability

Energy above hull
0.2268
eV/atom
Formation energy
-0.1455
eV/atom
Corrected total energy
-82.4928
eV
Raw total energy
-82.4928
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
19.5430
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5C12_50_spg12

Decomposition

Ho2Al Ho3Ga2 HoAl

Computed at

2022-02-06 12:58:29.228741

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: agm003370666).

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 agm003370666
data_agm003370666
_cell_length_a     8.51240
_cell_length_b     8.54288
_cell_length_c     8.00265
_cell_angle_alpha  86.34113
_cell_angle_beta   90.00000
_cell_angle_gamma  119.88203
_cell_volume       503.21834
_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 0.94940 0.89880 0.16242 1.00000
  Ho2 Ho 0.02357 0.66708 0.85017 1.00000
  Ho3 Ho 0.64351 0.66708 0.85017 1.00000
  Ho4 Ho 0.13443 0.71407 0.40505 1.00000
  Ho5 Ho 0.57964 0.71407 0.40505 1.00000
  Ho6 Ho 0.46053 0.92106 0.70809 1.00000
  Ho7 Ho 0.53947 0.07894 0.29191 1.00000
  Ho8 Ho 0.86557 0.28593 0.59495 1.00000
  Ho9 Ho 0.42036 0.28593 0.59495 1.00000
  Ho10 Ho 0.97643 0.33292 0.14983 1.00000
  Ho11 Ho 0.35649 0.33292 0.14983 1.00000
  Ho12 Ho 0.05060 0.10120 0.83758 1.00000
  Al1 Al 0.25411 0.50821 0.74651 1.00000
  Al2 Al 0.35634 0.71269 0.07021 1.00000
  Al3 Al 0.00000 0.00000 0.50000 1.00000
  Al4 Al 0.64366 0.28731 0.92979 1.00000
  Al5 Al 0.74589 0.49179 0.25349 1.00000
  Ga1 Ga 0.69561 0.00000 0.00000 1.00000
  Ga2 Ga 0.30439 1.00000 1.00000 1.00000
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