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DyOsRu

Alexandria ALEX

Alex-ID: agm015325871 · Space group: Amm2 (#38)

Basic Information

Formula
DyOsRu
Alex-ID
agm015325871
Elements
3
Sites
12
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
216.11
ų
Cell a
5.2272
Å
Cell b
5.2272
Å
Cell c
9.0187
Å
α angle
90.00
°
β angle
90.00
°
γ angle
118.72
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyOsRu
Dy
4.00 · 33.3%
Os
4.00 · 33.3%
Ru
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.3295
eV/atom
Corrected total energy
-104.3907
eV
Raw total energy
-104.3907
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0033
eV
DOS at Fermi level
10.9949
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

ABC_47_spg38

Decomposition

DyOsRu

Computed at

2024-11-29 20:05:52.920398

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: agm015325871).

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 agm015325871
data_agm015325871
_cell_length_a     5.22718
_cell_length_b     5.22718
_cell_length_c     9.01873
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  118.71629
_cell_volume       216.11458
_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 0.33137 0.66863 0.18326 1.00000
  Dy2 Dy 0.66534 0.33466 0.31613 1.00000
  Dy3 Dy 0.66534 0.33466 0.68387 1.00000
  Dy4 Dy 0.33137 0.66863 0.81674 1.00000
  Os1 Os 0.83746 0.16254 0.00000 1.00000
  Os2 Os 0.16921 0.33748 0.50000 1.00000
  Os3 Os 0.66252 0.83079 0.50000 1.00000
  Os4 Os 0.17236 0.82764 0.50000 1.00000
  Ru1 Ru 0.99257 0.00743 0.24920 1.00000
  Ru2 Ru 0.99257 0.00743 0.75080 1.00000
  Ru3 Ru 0.83161 0.65189 0.00000 1.00000
  Ru4 Ru 0.34811 0.16839 0.00000 1.00000
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