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Ho2Zn2Cd3

Alexandria ALEX

Alex-ID: agm008707232 · Space group: C2/m (#12)

Basic Information

Formula
Ho2Zn2Cd3
Alex-ID
agm008707232
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
156.78
ų
Cell a
5.7924
Å
Cell b
5.7924
Å
Cell c
6.8346
Å
α angle
80.97
°
β angle
80.97
°
γ angle
43.92
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Zn2Cd3
Ho
2.00 · 28.6%
Zn
2.00 · 28.6%
Cd
3.00 · 42.9%

Energy & Stability

Energy above hull
0.0779
eV/atom
Formation energy
-0.2432
eV/atom
Corrected total energy
-16.1869
eV
Raw total energy
-16.1869
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0288
eV
DOS at Fermi level
5.5980
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_195_spg12

Decomposition

HoZn2Cd HoCd2

Computed at

2024-03-19 08:36:31

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: agm008707232).

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 agm008707232
data_agm008707232
_cell_length_a     5.79237
_cell_length_b     5.79237
_cell_length_c     6.83463
_cell_angle_alpha  80.97213
_cell_angle_beta   80.97213
_cell_angle_gamma  43.92346
_cell_volume       156.77979
_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 0.62761 0.62761 0.65524 1.00000
  Ho2 Ho 0.37239 0.37239 0.34476 1.00000
  Zn1 Zn 0.08990 0.08990 0.35729 1.00000
  Zn2 Zn 0.91010 0.91010 0.64271 1.00000
  Cd1 Cd 0.30815 0.30815 0.85807 1.00000
  Cd2 Cd 0.00000 0.00000 0.00000 1.00000
  Cd3 Cd 0.69185 0.69185 0.14193 1.00000
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