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Dy2CoOs3

Alexandria ALEX

Alex-ID: agm005847737 · Space group: R-3m (#166)

Basic Information

Formula
Dy2CoOs3
Alex-ID
agm005847737
Elements
3
Sites
6
Space group
R-3m (#166)
Crystal system
trigonal
Volume
104.45
ų
Cell a
5.2620
Å
Cell b
5.2620
Å
Cell c
5.3090
Å
α angle
90.05
°
β angle
119.68
°
γ angle
119.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2CoOs3
Dy
2.00 · 33.3%
Co
1.00 · 16.7%
Os
3.00 · 50.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.2878
eV/atom
Corrected total energy
-51.7473
eV
Raw total energy
-51.7473
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
5.3943
Total magnetisation
0.6167
μB

Additional Information

Prototype ID

AB2C3_8_spg166

Decomposition

Dy2CoOs3

Computed at

2023-08-17 10:14:41.201389

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: agm005847737).

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 agm005847737
data_agm005847737
_cell_length_a     5.26199
_cell_length_b     5.26199
_cell_length_c     5.30901
_cell_angle_alpha  90.05298
_cell_angle_beta   119.68304
_cell_angle_gamma  119.96296
_cell_volume       104.44948
_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 0.75194 0.37581 0.12776 1.00000
  Dy2 Dy 0.24806 0.62419 0.87224 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
  Os1 Os 0.50000 0.50000 0.50000 1.00000
  Os2 Os 0.00000 0.00000 0.50000 1.00000
  Os3 Os 0.50000 0.00000 0.50000 1.00000
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