Navigation

HEAS Data Platform · Materials Science Database

Dy2Co15Cu2

Alexandria ALEX

Alex-ID: agm005548832 · Space group: R-3m (#166)

Basic Information

Formula
Dy2Co15Cu2
Alex-ID
agm005548832
Elements
3
Sites
19
Space group
R-3m (#166)
Crystal system
trigonal
Volume
242.50
ų
Cell a
6.2733
Å
Cell b
6.2733
Å
Cell c
6.2733
Å
α angle
83.53
°
β angle
83.53
°
γ angle
83.53
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Co15Cu2
Dy
2.00 · 10.5%
Co
15.00 · 78.9%
Cu
2.00 · 10.5%

Energy & Stability

Energy above hull
0.0352
eV/atom
Formation energy
-0.0508
eV/atom
Corrected total energy
-125.3501
eV
Raw total energy
-125.3501
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0031
eV
DOS at Fermi level
22.2520
Total magnetisation
21.5451
μB

Additional Information

Prototype ID

A2B2C15_1_spg166

Decomposition

Dy2Co17 DyCu5 Cu

Computed at

2023-05-30 23:46:45.514756

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: agm005548832).

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 agm005548832
data_agm005548832
_cell_length_a     6.27334
_cell_length_b     6.27334
_cell_length_c     6.27334
_cell_angle_alpha  83.53306
_cell_angle_beta   83.53306
_cell_angle_gamma  83.53306
_cell_volume       242.50234
_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 0.34356 0.34356 0.34356 1.00000
  Dy2 Dy 0.65644 0.65644 0.65644 1.00000
  Co1 Co 0.50000 0.00000 0.00000 1.00000
  Co2 Co 0.00000 0.00000 0.50000 1.00000
  Co3 Co 0.00000 0.50000 0.00000 1.00000
  Co4 Co 0.00000 0.71158 0.28842 1.00000
  Co5 Co 0.71158 0.28842 1.00000 1.00000
  Co6 Co 0.28842 1.00000 0.71158 1.00000
  Co7 Co 0.28842 0.71158 0.00000 1.00000
  Co8 Co 0.71158 0.00000 0.28842 1.00000
  Co9 Co 1.00000 0.28842 0.71158 1.00000
  Co10 Co 0.15389 0.65118 0.65118 1.00000
  Co11 Co 0.65118 0.65118 0.15389 1.00000
  Co12 Co 0.65118 0.15389 0.65118 1.00000
  Co13 Co 0.84611 0.34882 0.34882 1.00000
  Co14 Co 0.34882 0.34882 0.84611 1.00000
  Co15 Co 0.34882 0.84611 0.34882 1.00000
  Cu1 Cu 0.10141 0.10141 0.10141 1.00000
  Cu2 Cu 0.89859 0.89859 0.89859 1.00000
Get direct link