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HoAl2Pt5

Alexandria ALEX

Alex-ID: agm044668731 · Space group: I4/mmm (#139)

Basic Information

Formula
HoAl2Pt5
Alex-ID
agm044668731
Elements
3
Sites
8
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
128.15
ų
Cell a
8.1102
Å
Cell b
8.1102
Å
Cell c
8.1102
Å
α angle
150.61
°
β angle
150.61
°
γ angle
42.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoAl2Pt5
Ho
1.00 · 12.5%
Al
2.00 · 25.0%
Pt
5.00 · 62.5%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-1.0704
eV/atom
Corrected total energy
-51.0732
eV
Raw total energy
-51.0732
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.0266
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C5_14_spg139

Decomposition

HoAl2Pt5

Computed at

2025-01-30 15:24:11

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: agm044668731).

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 agm044668731
data_agm044668731
_cell_length_a     8.11019
_cell_length_b     8.11019
_cell_length_c     8.11019
_cell_angle_alpha  150.61245
_cell_angle_beta   150.61245
_cell_angle_gamma  42.04313
_cell_volume       128.15109
_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 0.00000 0.00000 1.00000
  Al1 Al 0.74767 0.74767 0.00000 1.00000
  Al2 Al 0.25233 0.25233 0.00000 1.00000
  Pt1 Pt 0.50000 0.50000 0.00000 1.00000
  Pt2 Pt 0.35661 0.85661 0.50000 1.00000
  Pt3 Pt 0.85661 0.35661 0.50000 1.00000
  Pt4 Pt 0.64339 0.14339 0.50000 1.00000
  Pt5 Pt 0.14339 0.64339 0.50000 1.00000
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