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Sr2Ag15Pb2

Alexandria ALEX

Alex-ID: agm003301902 · Space group: R-3m (#166)

Basic Information

Formula
Sr2Ag15Pb2
Alex-ID
agm003301902
Elements
3
Sites
19
Space group
R-3m (#166)
Crystal system
trigonal
Volume
413.73
ų
Cell a
7.4941
Å
Cell b
7.4941
Å
Cell c
7.4941
Å
α angle
83.68
°
β angle
83.68
°
γ angle
83.68
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Ag15Pb2
Sr
2.00 · 10.5%
Ag
15.00 · 78.9%
Pb
2.00 · 10.5%

Energy & Stability

Energy above hull
0.0514
eV/atom
Formation energy
-0.0817
eV/atom
Corrected total energy
-55.1173
eV
Raw total energy
-55.1173
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.1843
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C15_1_spg166

Decomposition

SrAg4Pb Ag

Computed at

2022-01-18 05:09:30.796321

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: agm003301902).

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 agm003301902
data_agm003301902
_cell_length_a     7.49412
_cell_length_b     7.49412
_cell_length_c     7.49412
_cell_angle_alpha  83.67646
_cell_angle_beta   83.67646
_cell_angle_gamma  83.67646
_cell_volume       413.72537
_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 0.34831 0.34831 0.34831 1.00000
  Sr2 Sr 0.65169 0.65169 0.65169 1.00000
  Ag1 Ag 0.50000 0.00000 0.00000 1.00000
  Ag2 Ag 0.00000 0.00000 0.50000 1.00000
  Ag3 Ag 0.00000 0.50000 0.00000 1.00000
  Ag4 Ag 0.00000 0.68384 0.31616 1.00000
  Ag5 Ag 0.68384 0.31616 0.00000 1.00000
  Ag6 Ag 0.31616 0.00000 0.68384 1.00000
  Ag7 Ag 0.31616 0.68384 0.00000 1.00000
  Ag8 Ag 0.68384 0.00000 0.31616 1.00000
  Ag9 Ag 0.00000 0.31616 0.68384 1.00000
  Ag10 Ag 0.16432 0.65376 0.65376 1.00000
  Ag11 Ag 0.65376 0.65376 0.16432 1.00000
  Ag12 Ag 0.65376 0.16432 0.65376 1.00000
  Ag13 Ag 0.83568 0.34624 0.34624 1.00000
  Ag14 Ag 0.34624 0.34624 0.83568 1.00000
  Ag15 Ag 0.34624 0.83568 0.34624 1.00000
  Pb1 Pb 0.10353 0.10353 0.10353 1.00000
  Pb2 Pb 0.89647 0.89647 0.89647 1.00000
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