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Zn4Ag3

Alexandria ALEX

Alex-ID: agm009673384 · Space group: C2/m (#12)

Basic Information

Formula
Zn4Ag3
Alex-ID
agm009673384
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
113.21
ų
Cell a
6.2973
Å
Cell b
6.2973
Å
Cell c
6.9291
Å
α angle
68.63
°
β angle
68.63
°
γ angle
26.38
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Zn4Ag3
Zn
4.00 · 57.1%
Ag
3.00 · 42.9%

Energy & Stability

Energy above hull
0.0339
eV/atom
Formation energy
-0.0134
eV/atom
Corrected total energy
-13.7608
eV
Raw total energy
-13.7608
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.7300
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4_26_spg2

Decomposition

Zn2Ag Zn7Ag6

Computed at

2024-05-17 08:35:40.470514

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: agm009673384).

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 agm009673384
data_agm009673384
_cell_length_a     6.29731
_cell_length_b     6.29731
_cell_length_c     6.92914
_cell_angle_alpha  68.62557
_cell_angle_beta   68.62557
_cell_angle_gamma  26.37989
_cell_volume       113.21486
_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
  Zn1 Zn 0.43240 0.43240 0.70929 1.00000
  Zn2 Zn 0.56760 0.56760 0.29071 1.00000
  Zn3 Zn 0.13964 0.13964 0.57297 1.00000
  Zn4 Zn 0.86036 0.86036 0.42703 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
  Ag2 Ag 0.27760 0.27760 0.15965 1.00000
  Ag3 Ag 0.72240 0.72240 0.84035 1.00000
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