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CeHo5Au6

Alexandria ALEX

Alex-ID: agm006106980 · Space group: Immm (#71)

Basic Information

Formula
CeHo5Au6
Alex-ID
agm006106980
Elements
3
Sites
12
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
281.46
ų
Cell a
5.1048
Å
Cell b
7.1699
Å
Cell c
8.8602
Å
α angle
113.87
°
β angle
106.74
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeHo5Au6
Au
6.00 · 50.0%
Ho
5.00 · 41.7%
Ce
1.00 · 8.3%

Energy & Stability

Energy above hull
0.0313
eV/atom
Formation energy
-0.8161
eV/atom
Corrected total energy
-58.2843
eV
Raw total energy
-58.2843
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0007
eV
DOS at Fermi level
12.6680
Total magnetisation
0.9313
μB

Additional Information

Prototype ID

AB5C6_53_spg71

Decomposition

HoAu CeAu

Computed at

2023-08-23 22:59:33.711149

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: agm006106980).

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 agm006106980
data_agm006106980
_cell_length_a     5.10484
_cell_length_b     7.16988
_cell_length_c     8.86024
_cell_angle_alpha  113.86680
_cell_angle_beta   106.74296
_cell_angle_gamma  89.99958
_cell_volume       281.46455
_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
  Au1 Au 0.82889 0.57150 0.65787 1.00000
  Au2 Au 0.82898 0.08637 0.65787 1.00000
  Au3 Au 0.49997 0.73517 0.00000 1.00000
  Au4 Au 0.50003 0.26483 1.00000 1.00000
  Au5 Au 0.17102 0.91363 0.34213 1.00000
  Au6 Au 0.17111 0.42850 0.34213 1.00000
  Ho1 Ho 0.66477 0.16477 0.32953 1.00000
  Ho2 Ho 0.33175 0.33175 0.66350 1.00000
  Ho3 Ho 0.00000 0.50000 0.00000 1.00000
  Ho4 Ho 0.66825 0.66825 0.33650 1.00000
  Ho5 Ho 0.33523 0.83523 0.67047 1.00000
  Ce1 Ce 0.00000 0.00000 0.00000 1.00000
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