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Ce2Ho3Co4

Alexandria ALEX

Alex-ID: agm005659673 · Space group: C2/m (#12)

Basic Information

Formula
Ce2Ho3Co4
Alex-ID
agm005659673
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
182.66
ų
Cell a
3.9579
Å
Cell b
5.7118
Å
Cell c
8.7477
Å
α angle
99.43
°
β angle
90.00
°
γ angle
110.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Ho3Co4
Ce
2.00 · 22.2%
Ho
3.00 · 33.3%
Co
4.00 · 44.4%

Energy & Stability

Energy above hull
0.0490
eV/atom
Formation energy
-0.1947
eV/atom
Corrected total energy
-55.8508
eV
Raw total energy
-55.8508
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.9711
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_361_spg12

Decomposition

Ce2Co3 HoCo2 Ce(HoCo)2

Computed at

2023-06-26 22:23:46.470257

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: agm005659673).

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 agm005659673
data_agm005659673
_cell_length_a     3.95791
_cell_length_b     5.71177
_cell_length_c     8.74773
_cell_angle_alpha  99.42680
_cell_angle_beta   90.00002
_cell_angle_gamma  110.27158
_cell_volume       182.65878
_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 0.32055 0.64109 0.21767 1.00000
  Ce2 Ce 0.67945 0.35891 0.78233 1.00000
  Ho1 Ho 0.37862 0.75723 0.61384 1.00000
  Ho2 Ho 0.00000 0.00000 0.00000 1.00000
  Ho3 Ho 0.62138 0.24277 0.38616 1.00000
  Co1 Co 0.70625 0.41250 0.08206 1.00000
  Co2 Co 0.08954 0.17908 0.61475 1.00000
  Co3 Co 0.91046 0.82092 0.38525 1.00000
  Co4 Co 0.29375 0.58750 0.91794 1.00000
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