Navigation

HEAS Data Platform · Materials Science Database

Co4GeN

Alexandria ALEX

Alex-ID: agm003756293 · Space group: C2/c (#15)

Basic Information

Formula
Co4GeN
Alex-ID
agm003756293
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
127.35
ų
Cell a
4.6204
Å
Cell b
5.0463
Å
Cell c
6.1493
Å
α angle
105.34
°
β angle
112.06
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co4GeN
Co
8.00 · 66.7%
Ge
2.00 · 16.7%
N
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0271
eV/atom
Formation energy
-0.0676
eV/atom
Corrected total energy
-82.9416
eV
Raw total energy
-82.9416
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0045
eV
DOS at Fermi level
14.4207
Total magnetisation
4.3362
μB

Additional Information

Prototype ID

ABC4_828_spg15

Decomposition

CoGe Ge3N4 Co

Computed at

2022-04-18 18:56:14.113156

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: agm003756293).

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 agm003756293
data_agm003756293
_cell_length_a     4.62039
_cell_length_b     5.04626
_cell_length_c     6.14930
_cell_angle_alpha  105.33991
_cell_angle_beta   112.06149
_cell_angle_gamma  90.00538
_cell_volume       127.34751
_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 0.48021 0.05424 0.80369 1.00000
  Co2 Co 0.67638 0.44587 0.19637 1.00000
  Co3 Co 0.51979 0.94576 0.19631 1.00000
  Co4 Co 0.32362 0.55413 0.80363 1.00000
  Co5 Co 0.87725 0.84052 0.62716 1.00000
  Co6 Co 0.25005 0.65950 0.37280 1.00000
  Co7 Co 0.12275 0.15948 0.37284 1.00000
  Co8 Co 0.74995 0.34050 0.62720 1.00000
  Ge1 Ge 0.86500 0.75003 0.00003 1.00000
  Ge2 Ge 0.13500 0.24997 0.99997 1.00000
  N1 N 0.50000 0.00000 0.50000 1.00000
  N2 N 0.00000 0.50000 0.50000 1.00000
Get direct link