Navigation

HEAS Data Platform · Materials Science Database

Dy4CoRu2

Alexandria ALEX

Alex-ID: agm015136261 · Space group: C2/m (#12)

Basic Information

Formula
Dy4CoRu2
Alex-ID
agm015136261
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
153.77
ų
Cell a
5.9241
Å
Cell b
5.9241
Å
Cell c
8.2114
Å
α angle
55.47
°
β angle
124.53
°
γ angle
137.79
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4CoRu2
Dy
4.00 · 57.1%
Co
1.00 · 14.3%
Ru
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0596
eV/atom
Formation energy
-0.2696
eV/atom
Corrected total energy
-45.9776
eV
Raw total energy
-45.9776
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.2542
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C4_168_spg1

Decomposition

DyCo3 Dy2Ru Dy4Ru3

Computed at

2025-06-11 10:46:09

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: agm015136261).

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 agm015136261
data_agm015136261
_cell_length_a     5.92406
_cell_length_b     5.92406
_cell_length_c     8.21141
_cell_angle_alpha  55.47175
_cell_angle_beta   124.52825
_cell_angle_gamma  137.79420
_cell_volume       153.76745
_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 0.91249 0.08751 0.12136 1.00000
  Dy2 Dy 0.08751 0.91249 0.87864 1.00000
  Dy3 Dy 0.68029 0.31971 0.57583 1.00000
  Dy4 Dy 0.31971 0.68029 0.42417 1.00000
  Co1 Co 0.00000 0.00000 0.50000 1.00000
  Ru1 Ru 0.64523 0.35477 0.15658 1.00000
  Ru2 Ru 0.35477 0.64523 0.84342 1.00000
Get direct link