Navigation

HEAS Data Platform · Materials Science Database

Dy8Zn4CuRh3

Alexandria ALEX

Alex-ID: agm050220577 · Space group: P4/mmm (#123)

Basic Information

Formula
Dy8Zn4CuRh3
Alex-ID
agm050220577
Elements
4
Sites
16
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
345.46
ų
Cell a
7.0266
Å
Cell b
7.0266
Å
Cell c
6.9969
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8Zn4CuRh3
Dy
8.00 · 50.0%
Zn
4.00 · 25.0%
Cu
1.00 · 6.3%
Rh
3.00 · 18.8%

Energy & Stability

Energy above hull
0.0201
eV/atom
Formation energy
-0.5336
eV/atom
Corrected total energy
-76.6943
eV
Raw total energy
-76.6943
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.4715
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C4D8_71_spg123

Decomposition

Dy4Zn3Rh Dy2CuRh Dy5Rh3 DyZn2

Computed at

2025-02-04 12:15:00

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: agm050220577).

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 agm050220577
data_agm050220577
_cell_length_a     7.02662
_cell_length_b     7.02662
_cell_length_c     6.99692
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       345.46177
_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 0.25265 0.74735 0.26288 1.00000
  Dy2 Dy 0.74735 0.25265 0.26288 1.00000
  Dy3 Dy 0.74735 0.74735 0.73712 1.00000
  Dy4 Dy 0.74735 0.74735 0.26288 1.00000
  Dy5 Dy 0.25265 0.25265 0.73712 1.00000
  Dy6 Dy 0.25265 0.25265 0.26288 1.00000
  Dy7 Dy 0.25265 0.74735 0.73712 1.00000
  Dy8 Dy 0.74735 0.25265 0.73712 1.00000
  Zn1 Zn 0.50000 0.50000 0.00000 1.00000
  Zn2 Zn 0.00000 0.00000 0.00000 1.00000
  Zn3 Zn 0.00000 0.50000 0.00000 1.00000
  Zn4 Zn 0.50000 0.00000 0.00000 1.00000
  Cu1 Cu 0.00000 0.00000 0.50000 1.00000
  Rh1 Rh 0.50000 0.00000 0.50000 1.00000
  Rh2 Rh 0.00000 0.50000 0.50000 1.00000
  Rh3 Rh 0.50000 0.50000 0.50000 1.00000
Get direct link