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Ho5AlIn2

Alexandria ALEX

Alex-ID: agm003472098 · Space group: Fmm2 (#42)

Basic Information

Formula
Ho5AlIn2
Alex-ID
agm003472098
Elements
3
Sites
8
Space group
Fmm2 (#42)
Crystal system
orthorhombic
Volume
212.43
ų
Cell a
6.9034
Å
Cell b
6.9035
Å
Cell c
6.6092
Å
α angle
121.47
°
β angle
121.47
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5AlIn2
Ho
5.00 · 62.5%
Al
1.00 · 12.5%
In
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0964
eV/atom
Formation energy
-0.2661
eV/atom
Corrected total energy
-34.3066
eV
Raw total energy
-34.3066
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0066
eV
DOS at Fermi level
7.5271
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C5_414_spg107

Decomposition

HoAl Ho2In

Computed at

2022-03-23 12:50:57.274061

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: agm003472098).

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 agm003472098
data_agm003472098
_cell_length_a     6.90338
_cell_length_b     6.90346
_cell_length_c     6.60916
_cell_angle_alpha  121.46780
_cell_angle_beta   121.46757
_cell_angle_gamma  90.01452
_cell_volume       212.42818
_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 0.72378 0.22542 0.94408 1.00000
  Ho2 Ho 0.24213 0.24214 0.99467 1.00000
  Ho3 Ho 0.69473 0.69474 0.89447 1.00000
  Ho4 Ho 0.22541 0.72376 0.94407 1.00000
  Ho5 Ho 0.73735 0.73733 0.44327 1.00000
  Al1 Al 0.19151 0.19151 0.44522 1.00000
  In1 In 0.21532 0.74678 0.44412 1.00000
  In2 In 0.74678 0.21532 0.44411 1.00000
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