Navigation

HEAS Data Platform · Materials Science Database

Dy9Ho4Zn11

Alexandria ALEX

Alex-ID: agm005734366 · Space group: Cmmm (#65)

Basic Information

Formula
Dy9Ho4Zn11
Alex-ID
agm005734366
Elements
3
Sites
24
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
558.64
ų
Cell a
3.4434
Å
Cell b
13.0566
Å
Cell c
13.0566
Å
α angle
107.89
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy9Ho4Zn11
Dy
9.00 · 37.5%
Ho
4.00 · 16.7%
Zn
11.00 · 45.8%

Energy & Stability

Energy above hull
0.0689
eV/atom
Formation energy
-0.2434
eV/atom
Corrected total energy
-79.6504
eV
Raw total energy
-79.6504
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
25.3486
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A4B9C11_8_spg65

Decomposition

Dy3HoZn4 DyHoZn2 Dy2Zn

Computed at

2023-07-11 15:29:08.032076

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: agm005734366).

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 agm005734366
data_agm005734366
_cell_length_a     3.44343
_cell_length_b     13.05661
_cell_length_c     13.05661
_cell_angle_alpha  107.88737
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       558.64264
_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 0.50000 0.62296 0.14853 1.00000
  Dy2 Dy 0.50000 0.37704 0.85147 1.00000
  Dy3 Dy 0.50000 0.14853 0.62296 1.00000
  Dy4 Dy 0.50000 0.85147 0.37704 1.00000
  Dy5 Dy 0.50000 0.79492 0.97710 1.00000
  Dy6 Dy 0.50000 0.20508 0.02290 1.00000
  Dy7 Dy 0.50000 0.97710 0.79492 1.00000
  Dy8 Dy 0.50000 0.02290 0.20508 1.00000
  Dy9 Dy 0.50003 0.50000 0.50000 1.00000
  Ho1 Ho 0.50000 0.58099 0.75502 1.00000
  Ho2 Ho 0.50000 0.41901 0.24498 1.00000
  Ho3 Ho 0.50000 0.75502 0.58099 1.00000
  Ho4 Ho 0.50000 0.24498 0.41901 1.00000
  Zn1 Zn 1.00000 0.58333 0.94673 1.00000
  Zn2 Zn 1.00000 0.41667 0.05327 1.00000
  Zn3 Zn 1.00000 0.94673 0.58333 1.00000
  Zn4 Zn 1.00000 0.05327 0.41667 1.00000
  Zn5 Zn 0.00001 0.63029 0.36971 1.00000
  Zn6 Zn 0.00001 0.36971 0.63029 1.00000
  Zn7 Zn 1.00000 0.82455 0.17545 1.00000
  Zn8 Zn 1.00000 0.17545 0.82455 1.00000
  Zn9 Zn 1.00000 0.00000 0.00000 1.00000
  Zn10 Zn 1.00000 0.78122 0.78122 1.00000
  Zn11 Zn 1.00000 0.21878 0.21878 1.00000
Get direct link