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Sr4AgPb8

Alexandria ALEX

Alex-ID: agm097779142 · Space group: Cm (#8)

Basic Information

Formula
Sr4AgPb8
Alex-ID
agm097779142
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
446.77
ų
Cell a
4.9449
Å
Cell b
9.5718
Å
Cell c
10.3871
Å
α angle
109.91
°
β angle
103.95
°
γ angle
90.06
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4AgPb8
Sr
4.00 · 30.8%
Ag
1.00 · 7.7%
Pb
8.00 · 61.5%

Energy & Stability

Energy above hull
0.0763
eV/atom
Formation energy
-0.3203
eV/atom
Corrected total energy
-43.4398
eV
Raw total energy
-43.4398
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.2843
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1631_spg1

Decomposition

SrAgPb SrPb3 SrPb

Computed at

2025-06-19 03:17:55

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: agm097779142).

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 agm097779142
data_agm097779142
_cell_length_a     4.94493
_cell_length_b     9.57179
_cell_length_c     10.38708
_cell_angle_alpha  109.91062
_cell_angle_beta   103.94522
_cell_angle_gamma  90.05678
_cell_volume       446.76520
_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 0.90870 0.07475 0.05180 1.00000
  Sr2 Sr 0.13119 0.97207 0.48507 1.00000
  Sr3 Sr 0.92265 0.56490 0.07912 1.00000
  Sr4 Sr 0.11403 0.46653 0.45552 1.00000
  Ag1 Ag 0.29091 0.91605 0.81680 1.00000
  Pb1 Pb 0.57543 0.16728 0.37139 1.00000
  Pb2 Pb 0.30993 0.23204 0.84868 1.00000
  Pb3 Pb 0.56990 0.70004 0.36372 1.00000
  Pb4 Pb 0.29675 0.59682 0.82583 1.00000
  Pb5 Pb 0.47301 0.36007 0.18220 1.00000
  Pb6 Pb 0.73534 0.35049 0.69954 1.00000
  Pb7 Pb 0.44385 0.85143 0.12850 1.00000
  Pb8 Pb 0.72831 0.74753 0.69182 1.00000
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