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Sr4Pb5

Alexandria ALEX

Alex-ID: agm005503241 · Space group: I4/mmm (#139)

Basic Information

Formula
Sr4Pb5
Alex-ID
agm005503241
Elements
2
Sites
9
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
324.84
ų
Cell a
8.2846
Å
Cell b
8.2846
Å
Cell c
8.2846
Å
α angle
95.79
°
β angle
95.79
°
γ angle
142.95
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4Pb5
Sr
4.00 · 44.4%
Pb
5.00 · 55.6%

Energy & Stability

Energy above hull
0.1658
eV/atom
Formation energy
-0.3381
eV/atom
Corrected total energy
-28.3427
eV
Raw total energy
-28.3427
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.7410
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B5_52_spg139

Decomposition

SrPb3 SrPb

Computed at

2023-03-19 15:48:27.158308

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: agm005503241).

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 agm005503241
data_agm005503241
_cell_length_a     8.28456
_cell_length_b     8.28456
_cell_length_c     8.28456
_cell_angle_alpha  95.79381
_cell_angle_beta   95.79381
_cell_angle_gamma  142.94927
_cell_volume       324.84269
_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 0.69955 0.00000 0.69955 1.00000
  Sr2 Sr 0.30045 0.00000 0.30045 1.00000
  Sr3 Sr 0.00000 0.30045 0.30045 1.00000
  Sr4 Sr 0.00000 0.69955 0.69955 1.00000
  Pb1 Pb 0.00000 0.00000 0.00000 1.00000
  Pb2 Pb 0.66000 0.34000 0.00000 1.00000
  Pb3 Pb 0.34000 0.66000 0.00000 1.00000
  Pb4 Pb 0.34000 0.34000 0.68001 1.00000
  Pb5 Pb 0.66000 0.66000 0.31999 1.00000
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