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CoRu2

Alexandria ALEX

Alex-ID: agm005446458 · Space group: Fd-3m (#227)

Basic Information

Formula
CoRu2
Alex-ID
agm005446458
Elements
2
Sites
6
Space group
Fd-3m (#227)
Crystal system
cubic
Volume
88.87
ų
Cell a
5.0091
Å
Cell b
5.0091
Å
Cell c
5.0091
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CoRu2
Co
2.00 · 33.3%
Ru
4.00 · 66.7%

Energy & Stability

Energy above hull
0.7747
eV/atom
Formation energy
0.7747
eV/atom
Corrected total energy
-46.7030
eV
Raw total energy
-46.7030
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.1190
Total magnetisation
6.7891
μB

Additional Information

Prototype ID

AB2_1_spg227

Decomposition

Ru Co

Computed at

2023-03-20 15:02:00.043957

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: agm005446458).

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 agm005446458
data_agm005446458
_cell_length_a     5.00908
_cell_length_b     5.00908
_cell_length_c     5.00908
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       88.87102
_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
  Co1 Co 0.75000 0.75000 0.75000 1.00000
  Co2 Co 0.50000 0.50000 0.50000 1.00000
  Ru1 Ru 0.12500 0.62500 0.12500 1.00000
  Ru2 Ru 0.12500 0.12500 0.62500 1.00000
  Ru3 Ru 0.62500 0.12500 0.12500 1.00000
  Ru4 Ru 0.12500 0.12500 0.12500 1.00000
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