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Co5Ge6Ru

Alexandria ALEX

Alex-ID: agm003674972 · Space group: Cmmm (#65)

Basic Information

Formula
Co5Ge6Ru
Alex-ID
agm003674972
Elements
3
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
154.20
ų
Cell a
7.2153
Å
Cell b
4.1789
Å
Cell c
6.5973
Å
α angle
71.64
°
β angle
79.50
°
γ angle
54.76
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co5Ge6Ru
Co
5.00 · 41.7%
Ge
6.00 · 50.0%
Ru
1.00 · 8.3%

Energy & Stability

Energy above hull
0.1890
eV/atom
Formation energy
-0.0439
eV/atom
Corrected total energy
-73.1255
eV
Raw total energy
-73.1255
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
5.8880
Total magnetisation
4.2809
μB

Additional Information

Prototype ID

AB5C6_47_spg65

Decomposition

Ge3Ru2 Co CoGe

Computed at

2022-04-28 02:58:57.761268

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: agm003674972).

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 agm003674972
data_agm003674972
_cell_length_a     7.21534
_cell_length_b     4.17893
_cell_length_c     6.59732
_cell_angle_alpha  71.64079
_cell_angle_beta   79.49716
_cell_angle_gamma  54.75869
_cell_volume       154.19821
_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 0.49994 0.16911 0.66334 1.00000
  Co2 Co 0.99985 0.33366 0.33344 1.00000
  Co3 Co 0.50000 0.50000 0.00000 1.00000
  Co4 Co 0.00015 0.66634 0.66656 1.00000
  Co5 Co 0.50006 0.83089 0.33666 1.00000
  Ge1 Ge 0.74891 0.08140 0.33949 1.00000
  Ge2 Ge 0.25121 0.57907 0.33933 1.00000
  Ge3 Ge 0.25814 0.24219 0.99998 1.00000
  Ge4 Ge 0.74186 0.75781 0.00002 1.00000
  Ge5 Ge 0.74879 0.42093 0.66067 1.00000
  Ge6 Ge 0.25109 0.91860 0.66051 1.00000
  Ru1 Ru 0.00000 0.00000 0.00000 1.00000
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