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AgOs5

Alexandria ALEX

Alex-ID: agm005459892 · Space group: Cm (#8)

Basic Information

Formula
AgOs5
Alex-ID
agm005459892
Elements
2
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
88.49
ų
Cell a
5.2515
Å
Cell b
5.2515
Å
Cell c
6.5111
Å
α angle
75.99
°
β angle
75.99
°
γ angle
30.61
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AgOs5
Ag
1.00 · 16.7%
Os
5.00 · 83.3%

Energy & Stability

Energy above hull
0.3681
eV/atom
Formation energy
0.3681
eV/atom
Corrected total energy
-56.7915
eV
Raw total energy
-56.7915
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.8751
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5_2_spg8

Decomposition

Os Ag

Computed at

2023-03-18 03:42:29.295133

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: agm005459892).

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 agm005459892
data_agm005459892
_cell_length_a     5.25146
_cell_length_b     5.25146
_cell_length_c     6.51110
_cell_angle_alpha  75.99257
_cell_angle_beta   75.99257
_cell_angle_gamma  30.60543
_cell_volume       88.49385
_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
  Ag1 Ag 0.99680 0.99680 0.00342 1.00000
  Os1 Os 0.61910 0.61910 0.28418 1.00000
  Os2 Os 0.32910 0.32910 0.34397 1.00000
  Os3 Os 0.94482 0.94482 0.60672 1.00000
  Os4 Os 0.67167 0.67167 0.66061 1.00000
  Os5 Os 0.27184 0.27184 0.93442 1.00000
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