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Ac4Ge3Os

Alexandria ALEX

Alex-ID: agm003553026 · Space group: Pmm2 (#25)

Alexandria Database API

Basic Information

Formula
Ac4Ge3Os
Alex-ID
agm003553026
Elements
3
Sites
8
Space group
Pmm2 (#25)
Crystal system
orthorhombic
Volume
233.34
ų
Cell a
4.6742
Å
Cell b
4.2998
Å
Cell c
11.6102
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac4Ge3Os
Ac
4.00 · 50.0%
Ge
3.00 · 37.5%
Os
1.00 · 12.5%

Energy & Stability

Energy above hull
0.1306
eV/atom
Formation energy
-0.4905
eV/atom
Corrected total energy
-45.4398
eV
Raw total energy
-45.4398
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0029
eV
DOS at Fermi level
8.1421
Total magnetisation
0.1619
μB

Additional Information

Prototype ID

AB3C4_77_spg25

Decomposition

Ac4Ge3 Os

Computed at

2022-04-01 11:18:34.645639

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: agm003553026).

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 agm003553026
data_agm003553026
_cell_length_a     4.67424
_cell_length_b     4.29977
_cell_length_c     11.61020
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       233.34343
_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
  Ac1 Ac 0.50000 0.50000 0.34781 1.00000
  Ac2 Ac 0.00000 0.50000 0.86812 1.00000
  Ac3 Ac 0.00000 0.00000 0.13630 1.00000
  Ac4 Ac 0.50000 0.00000 0.64328 1.00000
  Ge1 Ge 0.00000 0.50000 0.57168 1.00000
  Ge2 Ge 0.00000 0.00000 0.42866 1.00000
  Ge3 Ge 0.50000 0.00000 0.94060 1.00000
  Os1 Os 0.50000 0.50000 0.06354 1.00000
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