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Ce4Co2Os

Alexandria ALEX

Alex-ID: agm005995079 · Space group: Cc (#9)

Basic Information

Formula
Ce4Co2Os
Alex-ID
agm005995079
Elements
3
Sites
14
Space group
Cc (#9)
Crystal system
monoclinic
Volume
299.25
ų
Cell a
6.9645
Å
Cell b
6.6754
Å
Cell c
7.8529
Å
α angle
108.05
°
β angle
109.46
°
γ angle
105.06
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce4Co2Os
Os
2.00 · 14.3%
Co
4.00 · 28.6%
Ce
8.00 · 57.1%

Energy & Stability

Energy above hull
0.0605
eV/atom
Formation energy
-0.1696
eV/atom
Corrected total energy
-100.7994
eV
Raw total energy
-100.7994
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0065
eV
DOS at Fermi level
23.4168
Total magnetisation
0.0013
μB

Additional Information

Prototype ID

AB2C4_39_spg122

Decomposition

Ce4Os3 Ce7Os3 CeCo

Computed at

2023-10-19 23:51:35

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: agm005995079).

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 agm005995079
data_agm005995079
_cell_length_a     6.96447
_cell_length_b     6.67540
_cell_length_c     7.85286
_cell_angle_alpha  108.04635
_cell_angle_beta   109.46013
_cell_angle_gamma  105.06102
_cell_volume       299.25476
_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
  Os1 Os 0.73541 0.32854 0.51109 1.00000
  Os2 Os 0.97443 0.06750 0.98892 1.00000
  Co1 Co 0.22436 0.57829 0.08601 1.00000
  Co2 Co 0.56521 0.12451 0.92118 1.00000
  Co3 Co 0.88829 0.74225 0.41390 1.00000
  Co4 Co 0.39396 0.45330 0.57889 1.00000
  Ce1 Ce 0.15538 0.76628 0.79466 1.00000
  Ce2 Ce 0.73806 0.45167 0.87542 1.00000
  Ce3 Ce 0.01742 0.43253 0.30932 1.00000
  Ce4 Ce 0.61265 0.82630 0.62463 1.00000
  Ce5 Ce 0.22413 0.97808 0.32224 1.00000
  Ce6 Ce 0.65185 0.90584 0.17770 1.00000
  Ce7 Ce 0.11068 0.22157 0.70529 1.00000
  Ce8 Ce 0.45815 0.37334 0.19075 1.00000
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