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Ce3Co2Ge

Alexandria ALEX

Alex-ID: agm005672903 · Space group: P2_1/c (#14)

Basic Information

Formula
Ce3Co2Ge
Alex-ID
agm005672903
Elements
3
Sites
24
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
509.36
ų
Cell a
5.9262
Å
Cell b
11.0148
Å
Cell c
8.2969
Å
α angle
90.00
°
β angle
109.87
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce3Co2Ge
Ce
12.00 · 50.0%
Co
8.00 · 33.3%
Ge
4.00 · 16.7%

Energy & Stability

Energy above hull
0.0524
eV/atom
Formation energy
-0.3947
eV/atom
Corrected total energy
-156.1401
eV
Raw total energy
-156.1401
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0031
eV
DOS at Fermi level
33.9426
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_2317_spg14

Decomposition

Ce3CoGe2 CeCo

Computed at

2023-08-17 17:27:37.437561

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: agm005672903).

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 agm005672903
data_agm005672903
_cell_length_a     5.92624
_cell_length_b     11.01482
_cell_length_c     8.29690
_cell_angle_alpha  90.00000
_cell_angle_beta   109.86539
_cell_angle_gamma  90.00000
_cell_volume       509.36416
_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 0.23602 0.92271 0.97874 1.00000
  Ce2 Ce 0.26398 0.42271 0.52126 1.00000
  Ce3 Ce 0.76398 0.07729 0.02126 1.00000
  Ce4 Ce 0.73602 0.57729 0.47874 1.00000
  Ce5 Ce 0.29012 0.54703 0.09516 1.00000
  Ce6 Ce 0.20988 0.04703 0.40484 1.00000
  Ce7 Ce 0.70988 0.45297 0.90484 1.00000
  Ce8 Ce 0.79012 0.95297 0.59516 1.00000
  Ce9 Ce 0.83860 0.76807 0.16855 1.00000
  Ce10 Ce 0.66140 0.26807 0.33145 1.00000
  Ce11 Ce 0.16140 0.23193 0.83145 1.00000
  Ce12 Ce 0.33860 0.73193 0.66855 1.00000
  Co1 Co 0.66958 0.98415 0.31188 1.00000
  Co2 Co 0.83042 0.48415 0.18812 1.00000
  Co3 Co 0.33042 0.01585 0.68812 1.00000
  Co4 Co 0.16958 0.51585 0.81188 1.00000
  Co5 Co 0.14703 0.63431 0.37097 1.00000
  Co6 Co 0.35297 0.13431 0.12903 1.00000
  Co7 Co 0.85297 0.36569 0.62903 1.00000
  Co8 Co 0.64703 0.86569 0.87097 1.00000
  Ge1 Ge 0.41676 0.79259 0.31745 1.00000
  Ge2 Ge 0.08324 0.29259 0.18255 1.00000
  Ge3 Ge 0.58324 0.20741 0.68255 1.00000
  Ge4 Ge 0.91676 0.70741 0.81745 1.00000
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