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Ge2Pb4Au

Alexandria ALEX

Alex-ID: agm096043515 · Space group: P2/m (#10)

Basic Information

Formula
Ge2Pb4Au
Alex-ID
agm096043515
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
202.04
ų
Cell a
5.6782
Å
Cell b
4.6107
Å
Cell c
7.7181
Å
α angle
90.00
°
β angle
90.95
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ge2Pb4Au
Ge
2.00 · 28.6%
Pb
4.00 · 57.1%
Au
1.00 · 14.3%

Energy & Stability

Energy above hull
0.1698
eV/atom
Formation energy
0.1311
eV/atom
Corrected total energy
-26.4278
eV
Raw total energy
-26.4278
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.0099
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_6191_spg25

Decomposition

Pb2Au Ge Pb

Computed at

2025-04-10 18:48:28

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: agm096043515).

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 agm096043515
data_agm096043515
_cell_length_a     5.67823
_cell_length_b     4.61074
_cell_length_c     7.71807
_cell_angle_alpha  90.00000
_cell_angle_beta   90.95245
_cell_angle_gamma  90.00000
_cell_volume       202.03767
_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
  Ge1 Ge 0.00082 0.50000 0.99995 1.00000
  Ge2 Ge 0.99908 0.00000 0.50020 1.00000
  Pb1 Pb 0.25570 0.00000 0.17585 1.00000
  Pb2 Pb 0.26685 0.50000 0.64264 1.00000
  Pb3 Pb 0.73298 0.50000 0.35656 1.00000
  Pb4 Pb 0.74455 0.00000 0.82514 1.00000
  Au1 Au 0.50003 0.50000 0.99966 1.00000
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