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Ho3(AlZn2)2

Alexandria ALEX

Alex-ID: agm003339775 · Space group: C2/m (#12)

Basic Information

Formula
Ho3(AlZn2)2
Alex-ID
agm003339775
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
183.10
ų
Cell a
4.4843
Å
Cell b
5.6989
Å
Cell c
8.5021
Å
α angle
111.56
°
β angle
90.00
°
γ angle
113.17
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3(AlZn2)2
Ho
3.00 · 33.3%
Al
2.00 · 22.2%
Zn
4.00 · 44.4%

Energy & Stability

Energy above hull
0.0091
eV/atom
Formation energy
-0.4277
eV/atom
Corrected total energy
-30.1889
eV
Raw total energy
-30.1889
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.6299
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_272_spg12

Decomposition

HoAlZn HoZn2

Computed at

2022-01-26 23:42:16.587018

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: agm003339775).

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 agm003339775
data_agm003339775
_cell_length_a     4.48426
_cell_length_b     5.69886
_cell_length_c     8.50214
_cell_angle_alpha  111.55802
_cell_angle_beta   90.00000
_cell_angle_gamma  113.16839
_cell_volume       183.10333
_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 0.66324 0.32648 0.67346 1.00000
  Ho2 Ho 0.00000 0.00000 0.00000 1.00000
  Ho3 Ho 0.33676 0.67352 0.32654 1.00000
  Al1 Al 0.61695 0.23389 0.28262 1.00000
  Al2 Al 0.38305 0.76611 0.71738 1.00000
  Zn1 Zn 0.71325 0.42649 0.04547 1.00000
  Zn2 Zn 0.28675 0.57351 0.95453 1.00000
  Zn3 Zn 0.92730 0.85460 0.59313 1.00000
  Zn4 Zn 0.07270 0.14540 0.40687 1.00000
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