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Co7Rh2

Alexandria ALEX

Alex-ID: agm009354475 · Space group: C2/m (#12)

Basic Information

Formula
Co7Rh2
Alex-ID
agm009354475
Elements
2
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
106.36
ų
Cell a
5.7290
Å
Cell b
5.7290
Å
Cell c
5.6842
Å
α angle
72.39
°
β angle
72.39
°
γ angle
36.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co7Rh2
Co
7.00 · 77.8%
Rh
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0586
eV/atom
Formation energy
0.0586
eV/atom
Corrected total energy
-64.0422
eV
Raw total energy
-64.0422
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0076
eV
DOS at Fermi level
10.6818
Total magnetisation
13.3002
μB

Additional Information

Prototype ID

A2B7_166_spg12

Decomposition

Rh Co

Computed at

2024-03-11 17:39:13.191366

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: agm009354475).

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 agm009354475
data_agm009354475
_cell_length_a     5.72903
_cell_length_b     5.72903
_cell_length_c     5.68423
_cell_angle_alpha  72.38542
_cell_angle_beta   72.38542
_cell_angle_gamma  36.98040
_cell_volume       106.36123
_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 0.22217 0.22217 0.15457 1.00000
  Co2 Co 0.77783 0.77783 0.84543 1.00000
  Co3 Co 0.44210 0.44210 0.84504 1.00000
  Co4 Co 0.55790 0.55790 0.15496 1.00000
  Co5 Co 0.10732 0.10732 0.84470 1.00000
  Co6 Co 0.89268 0.89268 0.15530 1.00000
  Co7 Co 0.00000 0.00000 0.50000 1.00000
  Rh1 Rh 0.33889 0.33889 0.49941 1.00000
  Rh2 Rh 0.66111 0.66111 0.50059 1.00000
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