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HoMnAl3

Alexandria ALEX

Alex-ID: agm003732011 · Space group: P6_3/mmc (#194)

Basic Information

Formula
HoMnAl3
Alex-ID
agm003732011
Elements
3
Sites
10
Space group
P6_3/mmc (#194)
Crystal system
hexagonal
Volume
182.08
ų
Cell a
5.4138
Å
Cell b
6.2321
Å
Cell c
6.2321
Å
α angle
120.01
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoMnAl3
Ho
2.00 · 20.0%
Mn
2.00 · 20.0%
Al
6.00 · 60.0%

Energy & Stability

Energy above hull
0.1635
eV/atom
Formation energy
-0.2549
eV/atom
Corrected total energy
-52.5187
eV
Raw total energy
-52.5187
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
5.4511
Total magnetisation
3.6347
μB

Additional Information

Prototype ID

ABC3_12_spg194

Decomposition

Ho(MnAl2)4 HoAl2 Mn2Al

Computed at

2022-04-29 21:42:06.079097

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: agm003732011).

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 agm003732011
data_agm003732011
_cell_length_a     5.41381
_cell_length_b     6.23213
_cell_length_c     6.23213
_cell_angle_alpha  120.01072
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       182.07900
_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 0.25000 0.33341 0.66659 1.00000
  Ho2 Ho 0.75000 0.66659 0.33341 1.00000
  Mn1 Mn 0.00000 0.00000 0.00000 1.00000
  Mn2 Mn 0.50000 0.00000 0.00000 1.00000
  Al1 Al 0.25000 0.81260 0.18740 1.00000
  Al2 Al 0.75000 0.18740 0.81260 1.00000
  Al3 Al 0.25000 0.81267 0.62518 1.00000
  Al4 Al 0.75000 0.18733 0.37482 1.00000
  Al5 Al 0.25000 0.37482 0.18733 1.00000
  Al6 Al 0.75000 0.62518 0.81267 1.00000
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