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Ag4Pb5

Alexandria ALEX

Alex-ID: agm005503960 · Space group: I4/mmm (#139)

Basic Information

Formula
Ag4Pb5
Alex-ID
agm005503960
Elements
2
Sites
9
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
227.95
ų
Cell a
7.2283
Å
Cell b
7.2283
Å
Cell c
7.2283
Å
α angle
96.70
°
β angle
96.70
°
γ angle
140.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag4Pb5
Ag
4.00 · 44.4%
Pb
5.00 · 55.6%

Energy & Stability

Energy above hull
0.1253
eV/atom
Formation energy
0.1253
eV/atom
Corrected total energy
-28.8191
eV
Raw total energy
-28.8191
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.8972
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B5_52_spg139

Decomposition

Pb Ag

Computed at

2023-03-19 09:03:34.502427

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: agm005503960).

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 agm005503960
data_agm005503960
_cell_length_a     7.22835
_cell_length_b     7.22835
_cell_length_c     7.22835
_cell_angle_alpha  96.70411
_cell_angle_beta   96.70411
_cell_angle_gamma  140.04206
_cell_volume       227.95449
_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
  Ag1 Ag 0.35341 0.00000 0.35341 1.00000
  Ag2 Ag 0.64659 0.00000 0.64659 1.00000
  Ag3 Ag 0.00000 0.35341 0.35341 1.00000
  Ag4 Ag 0.00000 0.64659 0.64659 1.00000
  Pb1 Pb 0.00000 0.00000 0.00000 1.00000
  Pb2 Pb 0.32634 0.32634 0.65268 1.00000
  Pb3 Pb 0.67366 0.67366 0.34732 1.00000
  Pb4 Pb 0.67366 0.32634 0.00000 1.00000
  Pb5 Pb 0.32634 0.67366 0.00000 1.00000
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