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Dy(HoZn)2

Alexandria ALEX

Alex-ID: agm032133883 · Space group: I4/mmm (#139)

Basic Information

Formula
Dy(HoZn)2
Alex-ID
agm032133883
Elements
3
Sites
5
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
122.01
ų
Cell a
9.9959
Å
Cell b
9.9959
Å
Cell c
9.9959
Å
α angle
159.54
°
β angle
159.54
°
γ angle
29.10
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy(HoZn)2
Dy
1.00 · 20.0%
Ho
2.00 · 40.0%
Zn
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0101
eV/atom
Formation energy
-0.2648
eV/atom
Corrected total energy
-17.6412
eV
Raw total energy
-17.6412
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.5273
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB2C2_1080_spg71

Decomposition

DyHoZn DyHo3Zn4 Ho2Zn

Computed at

2025-02-22 13:39:03

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: agm032133883).

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 agm032133883
data_agm032133883
_cell_length_a     9.99586
_cell_length_b     9.99586
_cell_length_c     9.99586
_cell_angle_alpha  159.53687
_cell_angle_beta   159.53687
_cell_angle_gamma  29.09735
_cell_volume       122.00678
_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
  Dy1 Dy 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.81737 0.81737 0.00000 1.00000
  Ho2 Ho 0.18263 0.18263 0.00000 1.00000
  Zn1 Zn 0.59162 0.59162 0.00000 1.00000
  Zn2 Zn 0.40838 0.40838 0.00000 1.00000
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