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Sr5Cd2Pb5

Alexandria ALEX

Alex-ID: agm005651319 · Space group: C2/m (#12)

Basic Information

Formula
Sr5Cd2Pb5
Alex-ID
agm005651319
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
408.77
ų
Cell a
5.0637
Å
Cell b
9.5021
Å
Cell c
9.6040
Å
α angle
102.47
°
β angle
74.71
°
γ angle
74.55
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr5Cd2Pb5
Sr
5.00 · 41.7%
Cd
2.00 · 16.7%
Pb
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0311
eV/atom
Formation energy
-0.4631
eV/atom
Corrected total energy
-34.3930
eV
Raw total energy
-34.3930
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0398
eV
DOS at Fermi level
4.9202
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5C5_123_spg71

Decomposition

SrCdPb SrPb

Computed at

2023-06-19 09:30:11.685917

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: agm005651319).

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 agm005651319
data_agm005651319
_cell_length_a     5.06369
_cell_length_b     9.50213
_cell_length_c     9.60396
_cell_angle_alpha  102.47451
_cell_angle_beta   74.71471
_cell_angle_gamma  74.54684
_cell_volume       408.77237
_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 0.00000 0.50000 0.50000 1.00000
  Sr2 Sr 0.69541 0.66371 0.94547 1.00000
  Sr3 Sr 0.30671 0.04540 0.34118 1.00000
  Sr4 Sr 0.69329 0.95460 0.65882 1.00000
  Sr5 Sr 0.30459 0.33629 0.05453 1.00000
  Cd1 Cd 0.48641 0.35800 0.66917 1.00000
  Cd2 Cd 0.51359 0.64200 0.33083 1.00000
  Pb1 Pb 0.69985 0.29363 0.30668 1.00000
  Pb2 Pb 0.99920 0.23429 0.76730 1.00000
  Pb3 Pb 0.00080 0.76571 0.23270 1.00000
  Pb4 Pb 0.30015 0.70637 0.69332 1.00000
  Pb5 Pb 0.00000 0.00000 0.00000 1.00000
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