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Co5Rh3

Alexandria ALEX

Alex-ID: agm005519987 · Space group: P6_3/mcm (#193)

Basic Information

Formula
Co5Rh3
Alex-ID
agm005519987
Elements
2
Sites
16
Space group
P6_3/mcm (#193)
Crystal system
hexagonal
Volume
209.37
ų
Cell a
7.3052
Å
Cell b
7.3018
Å
Cell c
4.5335
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co5Rh3
Co
10.00 · 62.5%
Rh
6.00 · 37.5%

Energy & Stability

Energy above hull
0.2630
eV/atom
Formation energy
0.2630
eV/atom
Corrected total energy
-111.1392
eV
Raw total energy
-111.1392
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0004
eV
DOS at Fermi level
22.1140
Total magnetisation
23.4078
μB

Additional Information

Prototype ID

A3B5_92_spg193

Decomposition

Rh Co

Computed at

2023-07-17 10:15:14

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: agm005519987).

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 agm005519987
data_agm005519987
_cell_length_a     7.30522
_cell_length_b     7.30177
_cell_length_c     4.53349
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.02481
_cell_volume       209.37082
_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 0.00010 0.19670 0.25000 1.00000
  Co2 Co 0.99991 0.80328 0.75000 1.00000
  Co3 Co 0.19660 0.00003 0.25000 1.00000
  Co4 Co 0.19665 0.19670 0.75000 1.00000
  Co5 Co 0.33330 0.66658 0.00001 1.00000
  Co6 Co 0.33330 0.66658 0.49999 1.00000
  Co7 Co 0.66669 0.33342 0.99999 1.00000
  Co8 Co 0.66669 0.33342 0.50001 1.00000
  Co9 Co 0.80347 0.99996 0.75000 1.00000
  Co10 Co 0.80341 0.80330 0.25000 1.00000
  Rh1 Rh 0.99990 0.40187 0.75001 1.00000
  Rh2 Rh 0.00010 0.59810 0.25000 1.00000
  Rh3 Rh 0.40180 0.99997 0.75002 1.00000
  Rh4 Rh 0.40202 0.40194 0.25000 1.00000
  Rh5 Rh 0.59823 0.00002 0.25000 1.00000
  Rh6 Rh 0.59797 0.59806 0.75001 1.00000
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