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Ce8HoCo4

Alexandria ALEX

Alex-ID: agm097935154 · Space group: P1 (#1)

Basic Information

Formula
Ce8HoCo4
Alex-ID
agm097935154
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
292.86
ų
Cell a
4.3637
Å
Cell b
8.3525
Å
Cell c
9.2499
Å
α angle
60.64
°
β angle
94.22
°
γ angle
93.88
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce8HoCo4
Ce
8.00 · 61.5%
Ho
1.00 · 7.7%
Co
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1041
eV/atom
Formation energy
-0.0636
eV/atom
Corrected total energy
-81.3708
eV
Raw total energy
-81.3708
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
23.9756
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_782_spg1

Decomposition

CeHo2Co Ce CeCo

Computed at

2025-06-21 07:53:37

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: agm097935154).

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 agm097935154
data_agm097935154
_cell_length_a     4.36372
_cell_length_b     8.35252
_cell_length_c     9.24990
_cell_angle_alpha  60.64301
_cell_angle_beta   94.22155
_cell_angle_gamma  93.87542
_cell_volume       292.85668
_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 0.38741 0.13005 0.39837 1.00000
  Ce2 Ce 0.30720 0.63441 0.21292 1.00000
  Ce3 Ce 0.34328 0.60692 0.59308 1.00000
  Ce4 Ce 0.03515 0.22121 0.62281 1.00000
  Ce5 Ce 0.88093 0.87312 0.31144 1.00000
  Ce6 Ce 0.88138 0.35689 0.19643 1.00000
  Ce7 Ce 0.88143 0.48192 0.81202 1.00000
  Ce8 Ce 0.56665 0.83365 0.83251 1.00000
  Ho1 Ho 0.38021 0.12857 0.99947 1.00000
  Co1 Co 0.85483 0.91219 0.00545 1.00000
  Co2 Co 0.38536 0.47573 0.99344 1.00000
  Co3 Co 0.71570 0.45215 0.46796 1.00000
  Co4 Co 0.88047 0.89318 0.55409 1.00000
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