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DyEr3Os

Alexandria ALEX

Alex-ID: agm005804773 · Space group: C2/m (#12)

Basic Information

Formula
DyEr3Os
Alex-ID
agm005804773
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
279.65
ų
Cell a
3.5644
Å
Cell b
9.4762
Å
Cell c
8.7893
Å
α angle
105.52
°
β angle
101.70
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyEr3Os
Dy
2.00 · 20.0%
Er
6.00 · 60.0%
Os
2.00 · 20.0%

Energy & Stability

Energy above hull
0.2433
eV/atom
Formation energy
0.0073
eV/atom
Corrected total energy
-58.9715
eV
Raw total energy
-58.9715
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
12.4613
Total magnetisation
0.8155
μB

Additional Information

Prototype ID

ABC3_2567_spg12

Decomposition

Er3Os Dy

Computed at

2023-07-03 18:27:50.250744

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: agm005804773).

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 agm005804773
data_agm005804773
_cell_length_a     3.56442
_cell_length_b     9.47620
_cell_length_c     8.78926
_cell_angle_alpha  105.51515
_cell_angle_beta   101.69908
_cell_angle_gamma  90.00000
_cell_volume       279.65254
_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 0.69248 0.30712 0.38496 1.00000
  Dy2 Dy 0.30752 0.69288 0.61504 1.00000
  Er1 Er 0.00113 0.17602 0.00226 1.00000
  Er2 Er 0.99887 0.82398 0.99774 1.00000
  Er3 Er 0.31495 0.12904 0.62990 1.00000
  Er4 Er 0.68505 0.87096 0.37010 1.00000
  Er5 Er 0.09867 0.54093 0.19735 1.00000
  Er6 Er 0.90133 0.45907 0.80265 1.00000
  Os1 Os 0.86283 0.93498 0.72566 1.00000
  Os2 Os 0.13717 0.06502 0.27434 1.00000
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