Navigation

HEAS Data Platform · Materials Science Database

Dy8ZnCo4

Alexandria ALEX

Alex-ID: agm097569892 · Space group: Pm (#6)

Basic Information

Formula
Dy8ZnCo4
Alex-ID
agm097569892
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
298.37
ų
Cell a
9.3560
Å
Cell b
3.8280
Å
Cell c
8.8551
Å
α angle
90.00
°
β angle
109.81
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8ZnCo4
Dy
8.00 · 61.5%
Zn
1.00 · 7.7%
Co
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1217
eV/atom
Formation energy
-0.0922
eV/atom
Corrected total energy
-67.8016
eV
Raw total energy
-67.8016
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0568
eV
DOS at Fermi level
10.9100
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB4C8_1225_spg6

Decomposition

Dy4ZnCo Dy2ZnCo2 Dy5Co2

Computed at

2025-06-13 01:03:20

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: agm097569892).

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 agm097569892
data_agm097569892
_cell_length_a     9.35604
_cell_length_b     3.82799
_cell_length_c     8.85510
_cell_angle_alpha  90.00000
_cell_angle_beta   109.81307
_cell_angle_gamma  90.00000
_cell_volume       298.36977
_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 0.84192 0.50000 0.14039 1.00000
  Dy2 Dy 0.47850 0.50000 0.26590 1.00000
  Dy3 Dy 0.35070 0.50000 0.60227 1.00000
  Dy4 Dy 0.73397 0.50000 0.70557 1.00000
  Dy5 Dy 0.15918 0.00000 0.27232 1.00000
  Dy6 Dy 0.82182 0.00000 0.43471 1.00000
  Dy7 Dy 0.53667 0.00000 0.93827 1.00000
  Dy8 Dy 0.13385 0.00000 0.77110 1.00000
  Zn1 Zn 0.92961 0.00000 0.94387 1.00000
  Co1 Co 0.12421 0.50000 0.02341 1.00000
  Co2 Co 0.33460 0.50000 0.93425 1.00000
  Co3 Co 0.51825 0.00000 0.50867 1.00000
  Co4 Co 0.03672 0.50000 0.45928 1.00000
Get direct link