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EuAl3Au

Alexandria ALEX

Alex-ID: agm077908321 · Space group: I4mm (#107)

Basic Information

Formula
EuAl3Au
Alex-ID
agm077908321
Elements
3
Sites
5
Space group
I4mm (#107)
Crystal system
tetragonal
Volume
104.58
ų
Cell a
6.3644
Å
Cell b
6.3644
Å
Cell c
6.3644
Å
α angle
140.23
°
β angle
140.23
°
γ angle
57.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuAl3Au
Eu
1.00 · 20.0%
Al
3.00 · 60.0%
Au
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5411
eV/atom
Corrected total energy
-27.4939
eV
Raw total energy
-27.4939
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
10.5103
Total magnetisation
6.9648
μB

Additional Information

Prototype ID

ABC3_4_spg107

Decomposition

EuAl3Au

Computed at

2025-01-08 23:00:43

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: agm077908321).

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 agm077908321
data_agm077908321
_cell_length_a     6.36442
_cell_length_b     6.36442
_cell_length_c     6.36442
_cell_angle_alpha  140.23219
_cell_angle_beta   140.23219
_cell_angle_gamma  57.50092
_cell_volume       104.58047
_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
  Eu1 Eu 0.72696 0.72696 0.00000 1.00000
  Al1 Al 0.98403 0.48403 0.50000 1.00000
  Al2 Al 0.48403 0.98403 0.50000 1.00000
  Al3 Al 0.12879 0.12879 0.00000 1.00000
  Au1 Au 0.35563 0.35563 0.00000 1.00000
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