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Ce2CoGeC

Alexandria ALEX

Alex-ID: agm005000697 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula
Ce2CoGeC
Alex-ID
agm005000697
Elements
4
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
191.23
ų
Cell a
3.8704
Å
Cell b
6.6167
Å
Cell c
8.2937
Å
α angle
115.80
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2CoGeC
Ce
4.00 · 40.0%
Co
2.00 · 20.0%
Ge
2.00 · 20.0%
C
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0501
eV/atom
Formation energy
-0.4564
eV/atom
Corrected total energy
-70.2292
eV
Raw total energy
-70.2292
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0004
eV
DOS at Fermi level
7.8564
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD2_124_spg11

Decomposition

Ce21Co8Ge7C12 Ce3CoGe2 Ce2Co2Ge2C

Computed at

2022-07-04 00:30:19.043039

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: agm005000697).

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 agm005000697
data_agm005000697
_cell_length_a     3.87044
_cell_length_b     6.61673
_cell_length_c     8.29373
_cell_angle_alpha  115.79945
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       191.22843
_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 0.75000 0.76748 0.58655 1.00000
  Ce2 Ce 0.75000 0.77777 0.01734 1.00000
  Ce3 Ce 0.25000 0.23252 0.41345 1.00000
  Ce4 Ce 0.25000 0.22223 0.98266 1.00000
  Co1 Co 0.25000 0.50639 0.72182 1.00000
  Co2 Co 0.75000 0.49361 0.27818 1.00000
  Ge1 Ge 0.25000 0.71431 0.27763 1.00000
  Ge2 Ge 0.75000 0.28569 0.72237 1.00000
  C1 C 0.25000 0.82088 0.80975 1.00000
  C2 C 0.75000 0.17912 0.19025 1.00000
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