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Sr2Zn4Ag5

Alexandria ALEX

Alex-ID: agm005666701 · Space group: Fmmm (#69)

Basic Information

Formula
Sr2Zn4Ag5
Alex-ID
agm005666701
Elements
3
Sites
11
Space group
Fmmm (#69)
Crystal system
orthorhombic
Volume
243.07
ų
Cell a
5.9809
Å
Cell b
5.7785
Å
Cell c
8.7465
Å
α angle
79.81
°
β angle
70.01
°
γ angle
58.83
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Zn4Ag5
Sr
2.00 · 18.2%
Zn
4.00 · 36.4%
Ag
5.00 · 45.5%

Energy & Stability

Energy above hull
0.0309
eV/atom
Formation energy
-0.1944
eV/atom
Corrected total energy
-24.8866
eV
Raw total energy
-24.8866
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.7497
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_154_spg69

Decomposition

SrZn2Ag3 SrAg2 SrZn10Ag

Computed at

2023-06-22 20:20:07.646351

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: agm005666701).

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 agm005666701
data_agm005666701
_cell_length_a     5.98089
_cell_length_b     5.77850
_cell_length_c     8.74652
_cell_angle_alpha  79.80854
_cell_angle_beta   70.00724
_cell_angle_gamma  58.83447
_cell_volume       243.06992
_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 0.86484 0.00000 0.27033 1.00000
  Sr2 Sr 0.13516 1.00000 0.72967 1.00000
  Zn1 Zn 0.47973 0.30177 0.73877 1.00000
  Zn2 Zn 0.52027 0.69823 0.26123 1.00000
  Zn3 Zn 0.21850 0.30177 0.26123 1.00000
  Zn4 Zn 0.78150 0.69823 0.73877 1.00000
  Ag1 Ag 0.50000 0.00000 0.00000 1.00000
  Ag2 Ag 0.00000 0.50000 0.00000 1.00000
  Ag3 Ag 0.50000 0.50000 0.00000 1.00000
  Ag4 Ag 0.25000 0.50000 0.50000 1.00000
  Ag5 Ag 0.75000 0.50000 0.50000 1.00000
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