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Ru5Au

Alexandria ALEX

Alex-ID: agm005478595 · Space group: Cm (#8)

Basic Information

Formula
Ru5Au
Alex-ID
agm005478595
Elements
2
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
87.19
ų
Cell a
5.2141
Å
Cell b
5.2141
Å
Cell c
6.4575
Å
α angle
76.45
°
β angle
76.45
°
γ angle
30.80
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ru5Au
Ru
5.00 · 83.3%
Au
1.00 · 16.7%

Energy & Stability

Energy above hull
0.2021
eV/atom
Formation energy
0.2021
eV/atom
Corrected total energy
-48.4437
eV
Raw total energy
-48.4437
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.8231
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5_2_spg8

Decomposition

Au Ru

Computed at

2023-03-21 19:09:29.613832

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: agm005478595).

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 agm005478595
data_agm005478595
_cell_length_a     5.21410
_cell_length_b     5.21410
_cell_length_c     6.45754
_cell_angle_alpha  76.44584
_cell_angle_beta   76.44584
_cell_angle_gamma  30.79819
_cell_volume       87.19296
_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
  Ru1 Ru 0.61584 0.61584 0.28671 1.00000
  Ru2 Ru 0.32730 0.32730 0.34303 1.00000
  Ru3 Ru 0.94409 0.94409 0.60520 1.00000
  Ru4 Ru 0.67224 0.67224 0.65936 1.00000
  Ru5 Ru 0.27496 0.27496 0.93592 1.00000
  Au1 Au 0.99891 0.99891 0.00312 1.00000
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