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Dy4OsAu

Alexandria ALEX

Alex-ID: agm005808247 · Space group: C2/c (#15)

Basic Information

Formula
Dy4OsAu
Alex-ID
agm005808247
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
318.26
ų
Cell a
6.2651
Å
Cell b
7.9451
Å
Cell c
7.9451
Å
α angle
110.98
°
β angle
106.70
°
γ angle
106.70
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4OsAu
Dy
8.00 · 66.7%
Os
2.00 · 16.7%
Au
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0226
eV/atom
Formation energy
-0.4528
eV/atom
Corrected total energy
-71.2779
eV
Raw total energy
-71.2778
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0023
eV
DOS at Fermi level
13.0131
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

ABC4_1160_spg15

Decomposition

Dy5OsAu2 Dy3Os

Computed at

2023-07-28 04:52:56.766970

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: agm005808247).

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 agm005808247
data_agm005808247
_cell_length_a     6.26515
_cell_length_b     7.94507
_cell_length_c     7.94507
_cell_angle_alpha  110.97895
_cell_angle_beta   106.69748
_cell_angle_gamma  106.69750
_cell_volume       318.25938
_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 0.79681 0.64420 0.77744 1.00000
  Dy2 Dy 0.08677 0.94391 0.29080 1.00000
  Dy3 Dy 0.70319 0.22256 0.35580 1.00000
  Dy4 Dy 0.41323 0.70920 0.05609 1.00000
  Dy5 Dy 0.58677 0.29080 0.94391 1.00000
  Dy6 Dy 0.29681 0.77744 0.64420 1.00000
  Dy7 Dy 0.91323 0.05609 0.70920 1.00000
  Dy8 Dy 0.20319 0.35580 0.22256 1.00000
  Os1 Os 0.25000 0.00154 0.99846 1.00000
  Os2 Os 0.75000 0.99846 0.00154 1.00000
  Au1 Au 0.75000 0.63219 0.36781 1.00000
  Au2 Au 0.25000 0.36781 0.63219 1.00000
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