Navigation

HEAS Data Platform · Materials Science Database

Ce2Co2Ge5Au

Alexandria ALEX

Alex-ID: agm038245234 · Space group: Ibam (#72)

Alexandria Database API

Basic Information

Formula
Ce2Co2Ge5Au
Alex-ID
agm038245234
Elements
4
Sites
20
Space group
Ibam (#72)
Crystal system
orthorhombic
Volume
361.37
ų
Cell a
8.3392
Å
Cell b
8.3392
Å
Cell c
6.0936
Å
α angle
68.55
°
β angle
68.55
°
γ angle
91.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Co2Ge5Au
Ce
4.00 · 20.0%
Co
4.00 · 20.0%
Ge
10.00 · 50.0%
Au
2.00 · 10.0%

Energy & Stability

Energy above hull
0.0112
eV/atom
Formation energy
-0.5637
eV/atom
Corrected total energy
-116.2327
eV
Raw total energy
-116.2327
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0045
eV
DOS at Fermi level
22.5734
Total magnetisation
1.8398
μB

Additional Information

Prototype ID

AB2C2D5_56_spg15

Decomposition

Ce2CoGe4Au3 CeCoGe3 Ce2Co3Ge5

Computed at

2024-10-03 16:32:22.715060

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: agm038245234).

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 agm038245234
data_agm038245234
_cell_length_a     8.33918
_cell_length_b     8.33918
_cell_length_c     6.09362
_cell_angle_alpha  68.54595
_cell_angle_beta   68.54595
_cell_angle_gamma  91.05265
_cell_volume       361.36614
_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 0.39209 0.13599 0.73634 1.00000
  Ce2 Ce 0.86401 0.60791 0.76366 1.00000
  Ce3 Ce 0.60791 0.86401 0.26366 1.00000
  Ce4 Ce 0.13599 0.39209 0.23634 1.00000
  Co1 Co 0.47215 0.73725 0.89568 1.00000
  Co2 Co 0.26275 0.52785 0.60432 1.00000
  Co3 Co 0.52785 0.26275 0.10432 1.00000
  Co4 Co 0.73725 0.47215 0.39568 1.00000
  Ge1 Ge 0.71404 0.94937 0.66742 1.00000
  Ge2 Ge 0.05063 0.28596 0.83258 1.00000
  Ge3 Ge 0.28596 0.05063 0.33258 1.00000
  Ge4 Ge 0.94937 0.71404 0.16742 1.00000
  Ge5 Ge 0.50020 0.49980 0.25000 1.00000
  Ge6 Ge 0.49980 0.50020 0.75000 1.00000
  Ge7 Ge 0.24679 0.75321 0.25000 1.00000
  Ge8 Ge 0.75321 0.24679 0.75000 1.00000
  Ge9 Ge 0.75282 0.24718 0.25000 1.00000
  Ge10 Ge 0.24718 0.75282 0.75000 1.00000
  Au1 Au 0.00073 0.99927 0.25000 1.00000
  Au2 Au 0.99927 0.00073 0.75000 1.00000
Get direct link