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SrAg5

Alexandria ALEX

Alex-ID: agm005460065 · Space group: Cmmm (#65)

Basic Information

Formula
SrAg5
Alex-ID
agm005460065
Elements
2
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
131.47
ų
Cell a
5.5971
Å
Cell b
5.5971
Å
Cell c
5.0696
Å
α angle
90.00
°
β angle
90.00
°
γ angle
124.12
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrAg5
Sr
1.00 · 16.7%
Ag
5.00 · 83.3%

Energy & Stability

Energy above hull
0.1382
eV/atom
Formation energy
-0.0286
eV/atom
Corrected total energy
-16.1171
eV
Raw total energy
-16.1171
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.5477
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5_0_spg189

Decomposition

SrAg5

Computed at

2023-03-22 00:00:01.608394

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: agm005460065).

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 agm005460065
data_agm005460065
_cell_length_a     5.59706
_cell_length_b     5.59706
_cell_length_c     5.06964
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  124.12435
_cell_volume       131.47223
_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 0.50000 0.00000 1.00000
  Ag1 Ag 0.29807 0.70193 0.50000 1.00000
  Ag2 Ag 0.16926 0.83074 0.00000 1.00000
  Ag3 Ag 0.00000 0.00000 0.50000 1.00000
  Ag4 Ag 0.83074 0.16926 0.00000 1.00000
  Ag5 Ag 0.70193 0.29807 0.50000 1.00000
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