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Dy(GaOs2)2

Alexandria ALEX

Alex-ID: agm045048899 · Space group: Cmmm (#65)

Basic Information

Formula
Dy(GaOs2)2
Alex-ID
agm045048899
Elements
3
Sites
7
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
117.98
ų
Cell a
7.6784
Å
Cell b
7.6784
Å
Cell c
3.9833
Å
α angle
90.00
°
β angle
90.00
°
γ angle
149.84
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy(GaOs2)2
Dy
1.00 · 14.3%
Ga
2.00 · 28.6%
Os
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.3041
eV/atom
Corrected total energy
-57.7101
eV
Raw total energy
-57.7101
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.3870
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_74_spg44

Decomposition

Dy(GaOs2)2

Computed at

2025-06-12 02:37:27

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: agm045048899).

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 agm045048899
data_agm045048899
_cell_length_a     7.67835
_cell_length_b     7.67835
_cell_length_c     3.98333
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  149.84331
_cell_volume       117.97863
_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 0.00000 0.00000 0.00000 1.00000
  Ga1 Ga 0.41732 0.58268 0.50000 1.00000
  Ga2 Ga 0.58268 0.41732 0.50000 1.00000
  Os1 Os 0.19215 0.80785 0.50000 1.00000
  Os2 Os 0.30492 0.69508 0.00000 1.00000
  Os3 Os 0.80785 0.19215 0.50000 1.00000
  Os4 Os 0.69508 0.30492 0.00000 1.00000
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