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Ce8Ge4Pd

Alexandria ALEX

Alex-ID: agm097621649 · Space group: P1 (#1)

Basic Information

Formula
Ce8Ge4Pd
Alex-ID
agm097621649
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
318.39
ų
Cell a
4.1866
Å
Cell b
9.9906
Å
Cell c
9.3535
Å
α angle
124.51
°
β angle
93.21
°
γ angle
81.21
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce8Ge4Pd
Ce
8.00 · 61.5%
Ge
4.00 · 30.8%
Pd
1.00 · 7.7%

Energy & Stability

Energy above hull
0.0694
eV/atom
Formation energy
-0.5588
eV/atom
Corrected total energy
-78.3974
eV
Raw total energy
-78.3974
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0021
eV
DOS at Fermi level
32.2625
Total magnetisation
4.7099
μB

Additional Information

Prototype ID

AB4C8_692_spg1

Decomposition

Ce4Ge3 Ce2Ge CePd

Computed at

2025-06-21 22:48:59

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: agm097621649).

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 agm097621649
data_agm097621649
_cell_length_a     4.18662
_cell_length_b     9.99063
_cell_length_c     9.35354
_cell_angle_alpha  124.50566
_cell_angle_beta   93.21214
_cell_angle_gamma  81.20766
_cell_volume       318.38847
_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 0.84559 0.23484 0.39353 1.00000
  Ce2 Ce 0.89642 0.09215 0.68291 1.00000
  Ce3 Ce 0.65175 0.67833 0.40308 1.00000
  Ce4 Ce 0.76458 0.65532 0.82040 1.00000
  Ce5 Ce 0.24842 0.31982 0.10673 1.00000
  Ce6 Ce 0.17474 0.35629 0.70265 1.00000
  Ce7 Ce 0.02951 0.76222 0.15110 1.00000
  Ce8 Ce 0.33576 0.87648 0.71906 1.00000
  Ge1 Ge 0.82885 0.05186 0.99914 1.00000
  Ge2 Ge 0.44007 0.00116 0.40424 1.00000
  Ge3 Ge 0.65551 0.47516 0.99761 1.00000
  Ge4 Ge 0.25645 0.51642 0.51150 1.00000
  Pd1 Pd 0.37237 0.97995 0.10805 1.00000
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