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Ga2Co4Ge3

Alexandria ALEX

Alex-ID: agm003340451 · Space group: C2/c (#15)

Basic Information

Formula
Ga2Co4Ge3
Alex-ID
agm003340451
Elements
3
Sites
18
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
248.72
ų
Cell a
6.6012
Å
Cell b
6.2609
Å
Cell c
6.2609
Å
α angle
84.92
°
β angle
101.16
°
γ angle
101.16
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ga2Co4Ge3
Ga
4.00 · 22.2%
Co
8.00 · 44.4%
Ge
6.00 · 33.3%

Energy & Stability

Energy above hull
0.2240
eV/atom
Formation energy
-0.0179
eV/atom
Corrected total energy
-97.1334
eV
Raw total energy
-97.1334
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0246
eV
DOS at Fermi level
14.9213
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_400_spg15

Decomposition

Ga2Co2Ge Ga3Co3Ge4 GaCo3Ge2

Computed at

2022-01-27 02:38:18.544706

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: agm003340451).

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 agm003340451
data_agm003340451
_cell_length_a     6.60118
_cell_length_b     6.26092
_cell_length_c     6.26091
_cell_angle_alpha  84.91693
_cell_angle_beta   101.15963
_cell_angle_gamma  101.15963
_cell_volume       248.71546
_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
  Ga1 Ga 0.36024 0.14997 0.43973 1.00000
  Ga2 Ga 0.13976 0.56027 0.85004 1.00000
  Ga3 Ga 0.63976 0.85003 0.56027 1.00000
  Ga4 Ga 0.86024 0.43973 0.14996 1.00000
  Co1 Co 0.45169 0.91728 0.18344 1.00000
  Co2 Co 0.04831 0.81656 0.08272 1.00000
  Co3 Co 0.54831 0.08272 0.81656 1.00000
  Co4 Co 0.95169 0.18344 0.91728 1.00000
  Co5 Co 0.06457 0.31060 0.52819 1.00000
  Co6 Co 0.43543 0.47181 0.68940 1.00000
  Co7 Co 0.93543 0.68940 0.47181 1.00000
  Co8 Co 0.56457 0.52819 0.31060 1.00000
  Ge1 Ge 0.87972 0.03292 0.26562 1.00000
  Ge2 Ge 0.62028 0.73438 0.96708 1.00000
  Ge3 Ge 0.12028 0.96708 0.73438 1.00000
  Ge4 Ge 0.37972 0.26562 0.03292 1.00000
  Ge5 Ge 0.25000 0.63426 0.36574 1.00000
  Ge6 Ge 0.75000 0.36574 0.63426 1.00000
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