Navigation

HEAS Data Platform · Materials Science Database

Ce6UCo8

Alexandria ALEX

Alex-ID: agm072218264 · Space group: R-3 (#148)

Basic Information

Formula
Ce6UCo8
Alex-ID
agm072218264
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
279.68
ų
Cell a
7.1832
Å
Cell b
7.1832
Å
Cell c
7.1832
Å
α angle
109.99
°
β angle
109.99
°
γ angle
109.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce6UCo8
Ce
6.00 · 40.0%
U
1.00 · 6.7%
Co
8.00 · 53.3%

Energy & Stability

Energy above hull
0.1500
eV/atom
Formation energy
-0.1115
eV/atom
Corrected total energy
-105.5542
eV
Raw total energy
-105.5542
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
21.8614
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_75_spg148

Decomposition

Ce2Co3 UCo CeCo

Computed at

2024-10-05 20:13:04.385121

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: agm072218264).

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 agm072218264
data_agm072218264
_cell_length_a     7.18324
_cell_length_b     7.18324
_cell_length_c     7.18324
_cell_angle_alpha  109.99223
_cell_angle_beta   109.99223
_cell_angle_gamma  109.99223
_cell_volume       279.68486
_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 0.43174 0.87722 0.71019 1.00000
  Ce2 Ce 0.87722 0.71019 0.43174 1.00000
  Ce3 Ce 0.71019 0.43174 0.87722 1.00000
  Ce4 Ce 0.56826 0.12278 0.28981 1.00000
  Ce5 Ce 0.12278 0.28981 0.56826 1.00000
  Ce6 Ce 0.28981 0.56826 0.12278 1.00000
  U1 U 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.66378 0.66378 0.66378 1.00000
  Co2 Co 0.33622 0.33622 0.33622 1.00000
  Co3 Co 0.84329 0.10317 0.70824 1.00000
  Co4 Co 0.10317 0.70824 0.84329 1.00000
  Co5 Co 0.70824 0.84329 0.10317 1.00000
  Co6 Co 0.15671 0.89683 0.29176 1.00000
  Co7 Co 0.89683 0.29176 0.15671 1.00000
  Co8 Co 0.29176 0.15671 0.89683 1.00000
Get direct link