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Ce2Ag3Pb

Alexandria ALEX

Alex-ID: agm016724901 · Space group: Pmm2 (#25)

Basic Information

Formula
Ce2Ag3Pb
Alex-ID
agm016724901
Elements
3
Sites
6
Space group
Pmm2 (#25)
Crystal system
orthorhombic
Volume
146.08
ų
Cell a
3.3615
Å
Cell b
4.9586
Å
Cell c
8.7638
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Ag3Pb
Ce
2.00 · 33.3%
Ag
3.00 · 50.0%
Pb
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0263
eV/atom
Formation energy
-0.2184
eV/atom
Corrected total energy
-25.4403
eV
Raw total energy
-25.4403
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0018
eV
DOS at Fermi level
12.2187
Total magnetisation
2.4518
μB

Additional Information

Prototype ID

AB2C3_209_spg8

Decomposition

CeAgPb CeAg2

Computed at

2025-04-13 14:46:44

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: agm016724901).

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 agm016724901
data_agm016724901
_cell_length_a     3.36147
_cell_length_b     4.95861
_cell_length_c     8.76379
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       146.07716
_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
  Ce1 Ce 0.00000 0.00000 0.98673 1.00000
  Ce2 Ce 0.00000 0.50000 0.51641 1.00000
  Ag1 Ag 0.50000 0.50000 0.83417 1.00000
  Ag2 Ag 0.50000 0.50000 0.15619 1.00000
  Ag3 Ag 0.50000 0.00000 0.67427 1.00000
  Pb1 Pb 0.50000 0.00000 0.33224 1.00000
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