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Ho2Al3Ga2

Alexandria ALEX

Alex-ID: agm003307342 · Space group: Cmmm (#65)

Basic Information

Formula
Ho2Al3Ga2
Alex-ID
agm003307342
Elements
3
Sites
7
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
142.78
ų
Cell a
3.4649
Å
Cell b
4.2603
Å
Cell c
9.9042
Å
α angle
102.42
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Al3Ga2
Ho
2.00 · 28.6%
Al
3.00 · 42.9%
Ga
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1625
eV/atom
Formation energy
-0.3501
eV/atom
Corrected total energy
-28.9028
eV
Raw total energy
-28.9028
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.0692
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_6_spg65

Decomposition

HoAlGa2 Ho2AlGa3 HoAl3

Computed at

2022-01-23 04:14:58.103624

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: agm003307342).

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 agm003307342
data_agm003307342
_cell_length_a     3.46490
_cell_length_b     4.26032
_cell_length_c     9.90420
_cell_angle_alpha  102.42001
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       142.78003
_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 0.84406 0.68812 1.00000
  Ho2 Ho 0.00000 0.15594 0.31188 1.00000
  Al1 Al 0.50000 0.56949 0.13897 1.00000
  Al2 Al 0.50000 0.43051 0.86103 1.00000
  Al3 Al 0.00000 0.00000 0.00000 1.00000
  Ga1 Ga 0.50000 0.71136 0.42271 1.00000
  Ga2 Ga 0.50000 0.28864 0.57729 1.00000
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