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CoRh

Alexandria ALEX

Alex-ID: agm005437057 · Space group: C2/m (#12)

Basic Information

Formula
CoRh
Alex-ID
agm005437057
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
76.51
ų
Cell a
4.5562
Å
Cell b
4.5562
Å
Cell c
7.2617
Å
α angle
66.55
°
β angle
66.55
°
γ angle
33.92
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CoRh
Co
3.00 · 50.0%
Rh
3.00 · 50.0%

Energy & Stability

Energy above hull
0.0675
eV/atom
Formation energy
0.0675
eV/atom
Corrected total energy
-43.0206
eV
Raw total energy
-43.0206
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.2559
Total magnetisation
6.0643
μB

Additional Information

Prototype ID

AB_1526_spg12

Decomposition

Rh Co

Computed at

2023-03-20 15:21:43.097605

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: agm005437057).

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 agm005437057
data_agm005437057
_cell_length_a     4.55622
_cell_length_b     4.55622
_cell_length_c     7.26171
_cell_angle_alpha  66.55008
_cell_angle_beta   66.55008
_cell_angle_gamma  33.92485
_cell_volume       76.50552
_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 0.16831 0.16831 0.64957 1.00000
  Co2 Co 0.50000 0.50000 0.50000 1.00000
  Co3 Co 0.83169 0.83169 0.35043 1.00000
  Rh1 Rh 0.16522 0.16522 0.18070 1.00000
  Rh2 Rh 0.50000 0.50000 0.00000 1.00000
  Rh3 Rh 0.83478 0.83478 0.81930 1.00000
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