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Ho2ZnCoAu

Alexandria ALEX

Alex-ID: agm051662271 · Space group: P2_1/m (#11)

Basic Information

Formula
Ho2ZnCoAu
Alex-ID
agm051662271
Elements
4
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
204.70
ų
Cell a
3.9305
Å
Cell b
7.4156
Å
Cell c
7.7519
Å
α angle
64.96
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2ZnCoAu
Ho
4.00 · 40.0%
Zn
2.00 · 20.0%
Co
2.00 · 20.0%
Au
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0167
eV/atom
Formation energy
-0.5218
eV/atom
Corrected total energy
-46.8906
eV
Raw total energy
-46.8906
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0039
eV
DOS at Fermi level
7.5433
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

ABCD2_28_spg11

Decomposition

Ho2ZnCo2 HoCo3 HoZn2 HoAu

Computed at

2024-11-01 17:32:05.574863

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: agm051662271).

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 agm051662271
data_agm051662271
_cell_length_a     3.93046
_cell_length_b     7.41564
_cell_length_c     7.75185
_cell_angle_alpha  64.95608
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       204.70014
_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 0.85756 0.38425 1.00000
  Ho2 Ho 0.75000 0.47504 0.21046 1.00000
  Ho3 Ho 0.25000 0.14244 0.61575 1.00000
  Ho4 Ho 0.25000 0.52496 0.78954 1.00000
  Zn1 Zn 0.25000 0.83901 0.07613 1.00000
  Zn2 Zn 0.75000 0.16099 0.92387 1.00000
  Co1 Co 0.25000 0.57429 0.41850 1.00000
  Co2 Co 0.75000 0.42571 0.58150 1.00000
  Au1 Au 0.25000 0.18007 0.18309 1.00000
  Au2 Au 0.75000 0.81993 0.81691 1.00000
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