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Sr3Zn2Ag9

Alexandria ALEX

Alex-ID: agm005603360 · Space group: Immm (#71)

Basic Information

Formula
Sr3Zn2Ag9
Alex-ID
agm005603360
Elements
3
Sites
14
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
322.33
ų
Cell a
4.7304
Å
Cell b
8.7361
Å
Cell c
8.7361
Å
α angle
71.25
°
β angle
74.29
°
γ angle
74.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr3Zn2Ag9
Sr
3.00 · 21.4%
Zn
2.00 · 14.3%
Ag
9.00 · 64.3%

Energy & Stability

Energy above hull
0.0234
eV/atom
Formation energy
-0.2005
eV/atom
Corrected total energy
-36.0938
eV
Raw total energy
-36.0938
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.6067
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C9_126_spg71

Decomposition

SrAg5 SrZn2Ag3 SrAg2

Computed at

2023-06-15 05:35:24.757907

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: agm005603360).

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 agm005603360
data_agm005603360
_cell_length_a     4.73040
_cell_length_b     8.73607
_cell_length_c     8.73607
_cell_angle_alpha  71.24618
_cell_angle_beta   74.29173
_cell_angle_gamma  74.29174
_cell_volume       322.33319
_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 0.00000 0.00000 0.00000 1.00000
  Sr2 Sr 0.68929 0.31071 0.31071 1.00000
  Sr3 Sr 0.31071 0.68929 0.68929 1.00000
  Zn1 Zn 0.50000 0.27511 0.72489 1.00000
  Zn2 Zn 0.50000 0.72489 0.27511 1.00000
  Ag1 Ag 0.00000 0.50000 0.50000 1.00000
  Ag2 Ag 0.67466 0.96764 0.68304 1.00000
  Ag3 Ag 0.32534 0.03236 0.31696 1.00000
  Ag4 Ag 0.67466 0.68304 0.96764 1.00000
  Ag5 Ag 0.32534 0.31696 0.03236 1.00000
  Ag6 Ag 0.88198 0.84133 0.39470 1.00000
  Ag7 Ag 0.11802 0.15867 0.60530 1.00000
  Ag8 Ag 0.88198 0.39470 0.84133 1.00000
  Ag9 Ag 0.11802 0.60530 0.15867 1.00000
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