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Ho3ZnCd3

Alexandria ALEX

Alex-ID: agm005964584 · Space group: Imm2 (#44)

Basic Information

Formula
Ho3ZnCd3
Alex-ID
agm005964584
Elements
3
Sites
7
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
171.92
ų
Cell a
4.8308
Å
Cell b
3.5061
Å
Cell c
10.5801
Å
α angle
99.54
°
β angle
103.20
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3ZnCd3
Ho
3.00 · 42.9%
Zn
1.00 · 14.3%
Cd
3.00 · 42.9%

Energy & Stability

Energy above hull
0.0606
eV/atom
Formation energy
-0.2650
eV/atom
Corrected total energy
-19.6392
eV
Raw total energy
-19.6392
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.8729
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C3_599_spg44

Decomposition

HoZnCd HoCd

Computed at

2023-08-07 01:11:36.834799

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: agm005964584).

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 agm005964584
data_agm005964584
_cell_length_a     4.83082
_cell_length_b     3.50607
_cell_length_c     10.58010
_cell_angle_alpha  99.53741
_cell_angle_beta   103.19686
_cell_angle_gamma  90.00000
_cell_volume       171.92002
_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 0.30428 0.80428 0.60856 1.00000
  Ho2 Ho 0.70091 0.20091 0.40181 1.00000
  Ho3 Ho 0.99539 0.99539 0.99079 1.00000
  Zn1 Zn 0.43213 0.43213 0.86426 1.00000
  Cd1 Cd 0.14369 0.64369 0.28738 1.00000
  Cd2 Cd 0.85932 0.35932 0.71865 1.00000
  Cd3 Cd 0.56428 0.56428 0.12855 1.00000
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