Navigation

HEAS Data Platform · Materials Science Database

CeDy2Co3

Alexandria ALEX

Alex-ID: agm017390904 · Space group: P-1 (#2)

Basic Information

Formula
CeDy2Co3
Alex-ID
agm017390904
Elements
3
Sites
12
Space group
P-1 (#2)
Crystal system
triclinic
Volume
234.78
ų
Cell a
5.5955
Å
Cell b
6.7902
Å
Cell c
7.4335
Å
α angle
85.32
°
β angle
106.19
°
γ angle
119.82
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeDy2Co3
Ce
2.00 · 16.7%
Dy
4.00 · 33.3%
Co
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0969
eV/atom
Formation energy
-0.1330
eV/atom
Corrected total energy
-74.6208
eV
Raw total energy
-74.6208
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0193
eV
DOS at Fermi level
9.3231
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_146_spg2

Decomposition

Dy2Co3 Ce2Co3 Ce(DyCo)3

Computed at

2025-04-13 15:36:51

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: agm017390904).

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 agm017390904
data_agm017390904
_cell_length_a     5.59548
_cell_length_b     6.79020
_cell_length_c     7.43350
_cell_angle_alpha  85.32008
_cell_angle_beta   106.18511
_cell_angle_gamma  119.81713
_cell_volume       234.77907
_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 0.35822 0.13290 0.09809 1.00000
  Ce2 Ce 0.64178 0.86710 0.90191 1.00000
  Dy1 Dy 0.00000 0.50000 0.00000 1.00000
  Dy2 Dy 0.00000 0.50000 0.50000 1.00000
  Dy3 Dy 0.36186 0.16905 0.58589 1.00000
  Dy4 Dy 0.63814 0.83095 0.41411 1.00000
  Co1 Co 0.92303 0.15121 0.74704 1.00000
  Co2 Co 0.56443 0.50150 0.18115 1.00000
  Co3 Co 0.07697 0.84879 0.25296 1.00000
  Co4 Co 0.05229 0.22305 0.25815 1.00000
  Co5 Co 0.94771 0.77695 0.74185 1.00000
  Co6 Co 0.43557 0.49850 0.81885 1.00000
Get direct link