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Co(NiRh)2

Alexandria ALEX

Alex-ID: agm003401092 · Space group: R-3m (#166)

Basic Information

Formula
Co(NiRh)2
Alex-ID
agm003401092
Elements
3
Sites
5
Space group
R-3m (#166)
Crystal system
trigonal
Volume
63.20
ų
Cell a
4.1485
Å
Cell b
4.1485
Å
Cell c
4.8703
Å
α angle
64.79
°
β angle
64.79
°
γ angle
59.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co(NiRh)2
Co
1.00 · 20.0%
Ni
2.00 · 40.0%
Rh
2.00 · 40.0%

Energy & Stability

Energy above hull
0.1590
eV/atom
Formation energy
0.1537
eV/atom
Corrected total energy
-32.6258
eV
Raw total energy
-32.6258
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0011
eV
DOS at Fermi level
7.4887
Total magnetisation
5.2391
μB

Additional Information

Prototype ID

AB2C2_9_spg166

Decomposition

Co3Ni CoNi3 Rh

Computed at

2022-02-19 16:42:01.444138

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: agm003401092).

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 agm003401092
data_agm003401092
_cell_length_a     4.14850
_cell_length_b     4.14850
_cell_length_c     4.87033
_cell_angle_alpha  64.78782
_cell_angle_beta   64.78782
_cell_angle_gamma  59.99225
_cell_volume       63.19685
_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 0.00000 0.50000 0.00000 1.00000
  Ni1 Ni 0.18926 0.68926 0.43215 1.00000
  Ni2 Ni 0.81074 0.31074 0.56785 1.00000
  Rh1 Rh 0.60454 0.10454 0.18641 1.00000
  Rh2 Rh 0.39546 0.89546 0.81359 1.00000
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