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SrAgPb

Alexandria ALEX

Alex-ID: agm069605965 · Space group: Imm2 (#44)

Basic Information

Formula
SrAgPb
Alex-ID
agm069605965
Elements
3
Sites
6
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
175.19
ų
Cell a
6.4143
Å
Cell b
6.4143
Å
Cell c
6.4143
Å
α angle
133.36
°
β angle
104.29
°
γ angle
93.82
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrAgPb
Sr
2.00 · 33.3%
Ag
2.00 · 33.3%
Pb
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0015
eV/atom
Formation energy
-0.4118
eV/atom
Corrected total energy
-18.9692
eV
Raw total energy
-18.9692
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0121
eV
DOS at Fermi level
1.8328
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_1601_spg8

Decomposition

SrAgPb

Computed at

2024-12-12 05:20:23

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: agm069605965).

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 agm069605965
data_agm069605965
_cell_length_a     6.41432
_cell_length_b     6.41432
_cell_length_c     6.41432
_cell_angle_alpha  133.35857
_cell_angle_beta   104.29411
_cell_angle_gamma  93.81520
_cell_volume       175.19319
_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 0.61591 0.61591 0.00000 1.00000
  Sr2 Sr 0.17219 0.67219 0.50000 1.00000
  Ag1 Ag 0.02714 0.31045 0.71670 1.00000
  Ag2 Ag 0.59375 0.31045 0.28330 1.00000
  Pb1 Pb 0.76645 0.97842 0.78803 1.00000
  Pb2 Pb 0.19039 0.97842 0.21197 1.00000
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