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HoNi2Au

Alexandria ALEX

Alex-ID: agm014372853 · Space group: Pmma (#51)

Alexandria Database API

Basic Information

Formula
HoNi2Au
Alex-ID
agm014372853
Elements
3
Sites
8
Space group
Pmma (#51)
Crystal system
orthorhombic
Volume
132.38
ų
Cell a
3.9756
Å
Cell b
4.8660
Å
Cell c
6.8429
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoNi2Au
Ho
2.00 · 25.0%
Ni
4.00 · 50.0%
Au
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5626
eV/atom
Corrected total energy
-43.3480
eV
Raw total energy
-43.3480
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0049
eV
DOS at Fermi level
4.4782
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_676_spg40

Decomposition

HoNi2Au

Computed at

2024-10-27 05:54:23.125733

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: agm014372853).

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 agm014372853
data_agm014372853
_cell_length_a     3.97558
_cell_length_b     4.86602
_cell_length_c     6.84294
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       132.37834
_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
  Ho1 Ho 0.00000 0.75000 0.70612 1.00000
  Ho2 Ho 0.00000 0.25000 0.29388 1.00000
  Ni1 Ni 0.00000 0.25000 0.90264 1.00000
  Ni2 Ni 0.00000 0.75000 0.09736 1.00000
  Ni3 Ni 0.50000 0.50000 0.00000 1.00000
  Ni4 Ni 0.50000 0.00000 0.00000 1.00000
  Au1 Au 0.50000 0.25000 0.63990 1.00000
  Au2 Au 0.50000 0.75000 0.36010 1.00000
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