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Ho2Al4AgAu3

Alexandria ALEX

Alex-ID: agm004530305 · Space group: P-4m2 (#115)

Alexandria Database API

Basic Information

Formula
Ho2Al4AgAu3
Alex-ID
agm004530305
Elements
4
Sites
10
Space group
P-4m2 (#115)
Crystal system
tetragonal
Volume
197.33
ų
Cell a
4.3008
Å
Cell b
4.3008
Å
Cell c
10.6682
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Al4AgAu3
Ho
2.00 · 20.0%
Al
4.00 · 40.0%
Ag
1.00 · 10.0%
Au
3.00 · 30.0%

Energy & Stability

Energy above hull
0.0090
eV/atom
Formation energy
-0.6195
eV/atom
Corrected total energy
-43.0171
eV
Raw total energy
-43.0171
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0110
eV
DOS at Fermi level
3.9161
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D4_7_spg115

Decomposition

Ho3Al7Au4 Ho3(AlAu)4 Ho(AlAu)2 Ag

Computed at

2022-06-22 12:49:30.202101

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: agm004530305).

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 agm004530305
data_agm004530305
_cell_length_a     4.30083
_cell_length_b     4.30083
_cell_length_c     10.66818
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       197.33111
_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 0.50000 0.00000 0.25008 1.00000
  Ho2 Ho 0.00000 0.50000 0.74992 1.00000
  Al1 Al 0.50000 0.50000 0.00000 1.00000
  Al2 Al 0.00000 0.00000 0.00000 1.00000
  Al3 Al 0.50000 0.00000 0.63497 1.00000
  Al4 Al 0.00000 0.50000 0.36503 1.00000
  Ag1 Ag 0.50000 0.50000 0.50000 1.00000
  Au1 Au 0.00000 0.00000 0.50000 1.00000
  Au2 Au 0.50000 0.00000 0.86580 1.00000
  Au3 Au 0.00000 0.50000 0.13420 1.00000
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