Navigation

HEAS Data Platform · Materials Science Database

Dy2Os3W

Alexandria ALEX

Alex-ID: agm039655477 · Space group: R-3m (#166)

Basic Information

Formula
Dy2Os3W
Alex-ID
agm039655477
Elements
3
Sites
6
Space group
R-3m (#166)
Crystal system
trigonal
Volume
111.44
ų
Cell a
5.2630
Å
Cell b
5.2630
Å
Cell c
5.2630
Å
α angle
63.67
°
β angle
63.67
°
γ angle
63.67
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Os3W
Dy
2.00 · 33.3%
Os
3.00 · 50.0%
W
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0132
eV/atom
Formation energy
-0.2610
eV/atom
Corrected total energy
-57.4161
eV
Raw total energy
-57.4161
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.6165
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_2942_spg8

Decomposition

Dy2Os3W

Computed at

2025-04-15 05:19:13

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: agm039655477).

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 agm039655477
data_agm039655477
_cell_length_a     5.26301
_cell_length_b     5.26301
_cell_length_c     5.26301
_cell_angle_alpha  63.66984
_cell_angle_beta   63.66984
_cell_angle_gamma  63.66984
_cell_volume       111.43696
_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 0.37481 0.37481 0.37481 1.00000
  Dy2 Dy 0.62519 0.62519 0.62519 1.00000
  Os1 Os 0.50000 0.00000 0.00000 1.00000
  Os2 Os 0.00000 0.00000 0.50000 1.00000
  Os3 Os 0.00000 0.50000 0.00000 1.00000
  W1 W 0.00000 0.00000 0.00000 1.00000
Get direct link