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Ce2CdGePb

Alexandria ALEX

Alex-ID: agm004989613 · Space group: P4/nmm (#129)

Alexandria Database API

Basic Information

Formula
Ce2CdGePb
Alex-ID
agm004989613
Elements
4
Sites
10
Space group
P4/nmm (#129)
Crystal system
tetragonal
Volume
283.59
ų
Cell a
4.4814
Å
Cell b
4.4814
Å
Cell c
14.1208
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2CdGePb
Ce
4.00 · 40.0%
Cd
2.00 · 20.0%
Ge
2.00 · 20.0%
Pb
2.00 · 20.0%

Energy & Stability

Energy above hull
0.1181
eV/atom
Formation energy
-0.3820
eV/atom
Corrected total energy
-46.0544
eV
Raw total energy
-46.0544
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0022
eV
DOS at Fermi level
23.5578
Total magnetisation
3.4645
μB

Additional Information

Prototype ID

ABCD2_1540_spg129

Decomposition

Ce2(CdPb)3 Ce5GePb3 Ce2CdGe2 CeCd2

Computed at

2022-07-04 08:12:30.344900

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: agm004989613).

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 agm004989613
data_agm004989613
_cell_length_a     4.48141
_cell_length_b     4.48141
_cell_length_c     14.12082
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       283.58945
_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 0.50000 0.69022 1.00000
  Ce2 Ce 0.00000 0.50000 0.10322 1.00000
  Ce3 Ce 0.50000 0.00000 0.89678 1.00000
  Ce4 Ce 0.50000 0.00000 0.30978 1.00000
  Cd1 Cd 0.00000 0.00000 0.50000 1.00000
  Cd2 Cd 0.50000 0.50000 0.50000 1.00000
  Ge1 Ge 0.50000 0.00000 0.10672 1.00000
  Ge2 Ge 0.00000 0.50000 0.89328 1.00000
  Pb1 Pb 0.50000 0.00000 0.65475 1.00000
  Pb2 Pb 0.00000 0.50000 0.34525 1.00000
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