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GaGeOs3

Alexandria ALEX

Alex-ID: agm002480910 · Space group: Pm-3m (#221)

Basic Information

Formula
GaGeOs3
Alex-ID
agm002480910
Elements
3
Sites
5
Space group
Pm-3m (#221)
Crystal system
cubic
Volume
92.92
ų
Cell a
4.5293
Å
Cell b
4.5293
Å
Cell c
4.5293
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
GaGeOs3
Ge
1.00 · 20.0%
Os
3.00 · 60.0%
Ga
1.00 · 20.0%

Energy & Stability

Energy above hull
2.0456
eV/atom
Formation energy
1.9494
eV/atom
Corrected total energy
-31.5890
eV
Raw total energy
-31.5890
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.4473
Total magnetisation
1.0984
μB

Additional Information

Prototype ID

ABC3_0_spg221

Decomposition

Ge2Os Os Ga3Os

Computed at

2015-12-17 15:26:53

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: agm002480910).

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 agm002480910
data_agm002480910
_cell_length_a     4.52934
_cell_length_b     4.52934
_cell_length_c     4.52934
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       92.91904
_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
  Ge1 Ge 0.50000 0.50000 0.50000 1.00000
  Os1 Os 0.00000 0.50000 0.00000 1.00000
  Os2 Os 0.00000 0.00000 0.50000 1.00000
  Os3 Os 0.50000 0.00000 0.00000 1.00000
  Ga1 Ga 0.00000 0.00000 0.00000 1.00000
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