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Sr4Ag2Au5

Alexandria ALEX

Alex-ID: agm005658485 · Space group: P2/m (#10)

Basic Information

Formula
Sr4Ag2Au5
Alex-ID
agm005658485
Elements
3
Sites
11
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
298.22
ų
Cell a
4.4029
Å
Cell b
7.7050
Å
Cell c
8.7919
Å
α angle
89.12
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4Ag2Au5
Sr
4.00 · 36.4%
Ag
2.00 · 18.2%
Au
5.00 · 45.5%

Energy & Stability

Energy above hull
0.0473
eV/atom
Formation energy
-0.5894
eV/atom
Corrected total energy
-35.3305
eV
Raw total energy
-35.3305
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.3895
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_25_spg10

Decomposition

Sr2AgAu3 Sr5Au6 SrAgAu

Computed at

2023-06-22 15:06:13.932764

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: agm005658485).

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 agm005658485
data_agm005658485
_cell_length_a     4.40292
_cell_length_b     7.70496
_cell_length_c     8.79187
_cell_angle_alpha  89.11735
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       298.22304
_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
  Sr1 Sr 0.50000 0.73812 0.62643 1.00000
  Sr2 Sr 0.50000 0.23394 0.87144 1.00000
  Sr3 Sr 0.50000 0.26188 0.37357 1.00000
  Sr4 Sr 0.50000 0.76606 0.12856 1.00000
  Ag1 Ag 0.00000 0.08104 0.63390 1.00000
  Ag2 Ag 0.00000 0.91896 0.36610 1.00000
  Au1 Au 0.00000 0.56134 0.34403 1.00000
  Au2 Au 0.00000 0.13911 0.11723 1.00000
  Au3 Au 0.00000 0.50000 0.00000 1.00000
  Au4 Au 0.00000 0.86089 0.88277 1.00000
  Au5 Au 0.00000 0.43866 0.65597 1.00000
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