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CeIn3Pb

Alexandria ALEX

Alex-ID: agm005882091 · Space group: C2/m (#12)

Basic Information

Formula
CeIn3Pb
Alex-ID
agm005882091
Elements
3
Sites
5
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
187.80
ų
Cell a
6.6110
Å
Cell b
6.4822
Å
Cell c
6.7757
Å
α angle
121.55
°
β angle
90.29
°
γ angle
56.12
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeIn3Pb
Ce
1.00 · 20.0%
In
3.00 · 60.0%
Pb
1.00 · 20.0%

Energy & Stability

Energy above hull
0.4976
eV/atom
Formation energy
0.1890
eV/atom
Corrected total energy
-17.0062
eV
Raw total energy
-17.0062
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0019
eV
DOS at Fermi level
9.1400
Total magnetisation
1.1319
μB

Additional Information

Prototype ID

ABC3_694_spg12

Decomposition

CeIn3 Pb

Computed at

2023-07-04 06:42:56.624713

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: agm005882091).

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 agm005882091
data_agm005882091
_cell_length_a     6.61101
_cell_length_b     6.48221
_cell_length_c     6.77571
_cell_angle_alpha  121.54844
_cell_angle_beta   90.28614
_cell_angle_gamma  56.11635
_cell_volume       187.80073
_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 0.00000 1.00000
  In1 In 0.00000 0.00000 0.50000 1.00000
  In2 In 0.00000 0.50000 0.50000 1.00000
  In3 In 0.00000 0.50000 0.00000 1.00000
  Pb1 Pb 0.50000 0.00000 0.00000 1.00000
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