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Ce5Co19

Alexandria ALEX

Alex-ID: agm003229891 · Space group: R-3m (#166)

Basic Information

Formula
Ce5Co19
Alex-ID
agm003229891
Elements
2
Sites
24
Space group
R-3m (#166)
Crystal system
trigonal
Volume
337.47
ų
Cell a
4.8826
Å
Cell b
4.8826
Å
Cell c
16.5869
Å
α angle
81.54
°
β angle
81.54
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce5Co19
Ce
5.00 · 20.8%
Co
19.00 · 79.2%

Energy & Stability

Energy above hull
0.0142
eV/atom
Formation energy
-0.1353
eV/atom
Corrected total energy
-168.2689
eV
Raw total energy
-168.2689
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0050
eV
DOS at Fermi level
37.0225
Total magnetisation
17.7473
μB

Additional Information

Prototype ID

A5B19_1_spg166

Decomposition

CeCo2 Co

Computed at

2021-12-10 20:43:17.736847

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: agm003229891).

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 agm003229891
data_agm003229891
_cell_length_a     4.88261
_cell_length_b     4.88261
_cell_length_c     16.58690
_cell_angle_alpha  81.53631
_cell_angle_beta   81.53631
_cell_angle_gamma  60.00001
_cell_volume       337.46963
_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
  Ce1 Ce 0.00000 0.00000 0.00000 1.00000
  Ce2 Ce 0.07912 0.07912 0.76263 1.00000
  Ce3 Ce 0.92088 0.92088 0.23737 1.00000
  Ce4 Ce 0.15200 0.15200 0.54400 1.00000
  Ce5 Ce 0.84800 0.84800 0.45600 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
  Co2 Co 0.25048 0.25048 0.24856 1.00000
  Co3 Co 0.74952 0.74952 0.75144 1.00000
  Co4 Co 0.33338 0.33338 0.99987 1.00000
  Co5 Co 0.66662 0.66662 0.00013 1.00000
  Co6 Co 0.41568 0.41568 0.75296 1.00000
  Co7 Co 0.58432 0.58432 0.24704 1.00000
  Co8 Co 0.12450 0.62235 0.63080 1.00000
  Co9 Co 0.62235 0.62235 0.63080 1.00000
  Co10 Co 0.62235 0.12450 0.63080 1.00000
  Co11 Co 0.87550 0.37765 0.36920 1.00000
  Co12 Co 0.37765 0.37765 0.36920 1.00000
  Co13 Co 0.37765 0.87550 0.36920 1.00000
  Co14 Co 0.04049 0.54123 0.87704 1.00000
  Co15 Co 0.54123 0.54123 0.87704 1.00000
  Co16 Co 0.54123 0.04049 0.87704 1.00000
  Co17 Co 0.95951 0.45877 0.12296 1.00000
  Co18 Co 0.45877 0.45877 0.12296 1.00000
  Co19 Co 0.45877 0.95951 0.12296 1.00000
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