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Ho2CdNiAu

Alexandria ALEX

Alex-ID: agm045459637 · Space group: P2_1/m (#11)

Basic Information

Formula
Ho2CdNiAu
Alex-ID
agm045459637
Elements
4
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
219.08
ų
Cell a
4.0810
Å
Cell b
7.3743
Å
Cell c
7.8909
Å
α angle
67.30
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2CdNiAu
Ho
4.00 · 40.0%
Cd
2.00 · 20.0%
Ni
2.00 · 20.0%
Au
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0187
eV/atom
Formation energy
-0.5951
eV/atom
Corrected total energy
-44.2350
eV
Raw total energy
-44.2350
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0046
eV
DOS at Fermi level
4.6002
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD2_28_spg11

Decomposition

HoCdNi HoAu

Computed at

2024-11-08 00:58:24.783912

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: agm045459637).

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 agm045459637
data_agm045459637
_cell_length_a     4.08098
_cell_length_b     7.37432
_cell_length_c     7.89091
_cell_angle_alpha  67.30065
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       219.07827
_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 0.75000 0.35082 0.89377 1.00000
  Ho2 Ho 0.75000 0.96600 0.71549 1.00000
  Ho3 Ho 0.25000 0.64918 0.10623 1.00000
  Ho4 Ho 0.25000 0.03400 0.28451 1.00000
  Cd1 Cd 0.25000 0.33507 0.56234 1.00000
  Cd2 Cd 0.75000 0.66493 0.43766 1.00000
  Ni1 Ni 0.25000 0.07422 0.91428 1.00000
  Ni2 Ni 0.75000 0.92578 0.08572 1.00000
  Au1 Au 0.25000 0.67532 0.71049 1.00000
  Au2 Au 0.75000 0.32468 0.28951 1.00000
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