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Sr(AgPb)2

Alexandria ALEX

Alex-ID: agm003394476 · Space group: P-1 (#2)

Basic Information

Formula
Sr(AgPb)2
Alex-ID
agm003394476
Elements
3
Sites
10
Space group
P-1 (#2)
Crystal system
triclinic
Volume
285.84
ų
Cell a
6.2984
Å
Cell b
7.0468
Å
Cell c
8.0035
Å
α angle
72.58
°
β angle
66.91
°
γ angle
62.10
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr(AgPb)2
Sr
2.00 · 20.0%
Ag
4.00 · 40.0%
Pb
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0726
eV/atom
Formation energy
-0.1949
eV/atom
Corrected total energy
-31.5667
eV
Raw total energy
-31.5667
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0214
eV
DOS at Fermi level
3.5332
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_1353_spg15

Decomposition

SrAg4Pb SrPb3

Computed at

2022-02-12 01:39:39.799525

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: agm003394476).

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 agm003394476
data_agm003394476
_cell_length_a     6.29835
_cell_length_b     7.04677
_cell_length_c     8.00348
_cell_angle_alpha  72.57789
_cell_angle_beta   66.91160
_cell_angle_gamma  62.10180
_cell_volume       285.83878
_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 0.86464 0.74263 0.24934 1.00000
  Sr2 Sr 0.13536 0.25737 0.75066 1.00000
  Ag1 Ag 0.42487 0.82204 0.05858 1.00000
  Ag2 Ag 0.69672 0.31951 0.56190 1.00000
  Ag3 Ag 0.57512 0.17796 0.94142 1.00000
  Ag4 Ag 0.30327 0.68049 0.43810 1.00000
  Pb1 Pb 0.65760 0.34341 0.19452 1.00000
  Pb2 Pb 0.79777 0.84880 0.69170 1.00000
  Pb3 Pb 0.20222 0.15120 0.30830 1.00000
  Pb4 Pb 0.34239 0.65659 0.80548 1.00000
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