Navigation

HEAS Data Platform · Materials Science Database

Co2Ge

Alexandria ALEX

Alex-ID: agm003200212 · Space group: P6_3/mmc (#194)

Basic Information

Formula
Co2Ge
Alex-ID
agm003200212
Elements
2
Sites
6
Space group
P6_3/mmc (#194)
Crystal system
hexagonal
Volume
69.32
ų
Cell a
3.9978
Å
Cell b
3.9978
Å
Cell c
5.0079
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co2Ge
Co
4.00 · 66.7%
Ge
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0549
eV/atom
Formation energy
-0.0864
eV/atom
Corrected total energy
-38.2485
eV
Raw total energy
-38.2485
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0006
eV
DOS at Fermi level
5.9415
Total magnetisation
0.0013
μB

Additional Information

Prototype ID

AB2_2_spg194

Decomposition

CoGe Co

Computed at

2021-12-02 23:47:09.825641

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: agm003200212).

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 agm003200212
data_agm003200212
_cell_length_a     3.99783
_cell_length_b     3.99783
_cell_length_c     5.00785
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       69.31570
_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
  Co1 Co 0.33333 0.66667 0.75000 1.00000
  Co2 Co 0.00000 0.00000 0.00000 1.00000
  Co3 Co 0.00000 0.00000 0.50000 1.00000
  Co4 Co 0.66667 0.33333 0.25000 1.00000
  Ge1 Ge 0.66667 0.33333 0.75000 1.00000
  Ge2 Ge 0.33333 0.66667 0.25000 1.00000
Get direct link