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Ce8CoGe4

Alexandria ALEX

Alex-ID: agm097302926 · Space group: Cm (#8)

Basic Information

Formula
Ce8CoGe4
Alex-ID
agm097302926
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
313.31
ų
Cell a
4.1069
Å
Cell b
9.4876
Å
Cell c
9.4885
Å
α angle
58.24
°
β angle
94.11
°
γ angle
94.11
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce8CoGe4
Ce
8.00 · 61.5%
Co
1.00 · 7.7%
Ge
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0790
eV/atom
Formation energy
-0.4809
eV/atom
Corrected total energy
-79.3159
eV
Raw total energy
-79.3159
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0039
eV
DOS at Fermi level
30.4713
Total magnetisation
3.6739
μB

Additional Information

Prototype ID

AB4C8_799_spg65

Decomposition

Ce3CoGe2 Ce5CoGe2 Ce2Ge

Computed at

2025-06-13 03:01:54

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: agm097302926).

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 agm097302926
data_agm097302926
_cell_length_a     4.10695
_cell_length_b     9.48759
_cell_length_c     9.48850
_cell_angle_alpha  58.24340
_cell_angle_beta   94.11116
_cell_angle_gamma  94.11367
_cell_volume       313.30849
_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 0.27182 0.21013 0.21027 1.00000
  Ce2 Ce 0.29244 0.65013 0.14646 1.00000
  Ce3 Ce 0.24338 0.69804 0.69814 1.00000
  Ce4 Ce 0.29230 0.14644 0.65012 1.00000
  Ce5 Ce 0.67268 0.80244 0.31122 1.00000
  Ce6 Ce 0.64325 0.35907 0.35915 1.00000
  Ce7 Ce 0.67279 0.31137 0.80241 1.00000
  Ce8 Ce 0.92446 0.83856 0.83865 1.00000
  Co1 Co 0.62843 0.95624 0.95582 1.00000
  Ge1 Ge 0.15068 0.03103 0.03093 1.00000
  Ge2 Ge 0.77199 0.48479 0.99961 1.00000
  Ge3 Ge 0.16388 0.51233 0.51230 1.00000
  Ge4 Ge 0.77189 0.99944 0.48492 1.00000
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