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Ho3Zn8Cd3

Alexandria ALEX

Alex-ID: agm003376007 · Space group: Immm (#71)

Basic Information

Formula
Ho3Zn8Cd3
Alex-ID
agm003376007
Elements
3
Sites
14
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
270.98
ų
Cell a
4.4500
Å
Cell b
8.3737
Å
Cell c
8.3737
Å
α angle
66.32
°
β angle
74.59
°
γ angle
74.59
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3Zn8Cd3
Ho
3.00 · 21.4%
Zn
8.00 · 57.1%
Cd
3.00 · 21.4%

Energy & Stability

Energy above hull
0.0212
eV/atom
Formation energy
-0.2832
eV/atom
Corrected total energy
-30.6965
eV
Raw total energy
-30.6965
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.7282
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B3C8_0_spg71

Decomposition

HoZn2Cd HoCd6 Ho2Zn17

Computed at

2022-02-09 00:38:48.697783

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: agm003376007).

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 agm003376007
data_agm003376007
_cell_length_a     4.45005
_cell_length_b     8.37374
_cell_length_c     8.37374
_cell_angle_alpha  66.31767
_cell_angle_beta   74.59060
_cell_angle_gamma  74.59060
_cell_volume       270.98146
_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 0.50000 0.50000 0.50000 1.00000
  Ho2 Ho 0.79328 0.20672 0.20672 1.00000
  Ho3 Ho 0.20672 0.79328 0.79328 1.00000
  Zn1 Zn 0.64735 0.08207 0.62322 1.00000
  Zn2 Zn 0.35265 0.91793 0.37678 1.00000
  Zn3 Zn 0.64735 0.62322 0.08207 1.00000
  Zn4 Zn 0.35265 0.37678 0.91793 1.00000
  Zn5 Zn 0.83402 0.79960 0.53236 1.00000
  Zn6 Zn 0.16598 0.20040 0.46764 1.00000
  Zn7 Zn 0.83402 0.53236 0.79960 1.00000
  Zn8 Zn 0.16598 0.46764 0.20040 1.00000
  Cd1 Cd 0.50000 0.00000 0.00000 1.00000
  Cd2 Cd 0.00000 0.79482 0.20518 1.00000
  Cd3 Cd 0.00000 0.20518 0.79482 1.00000
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