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CoGe

Alexandria ALEX

Alex-ID: agm005235248 · Space group: Cm (#8)

Basic Information

Formula
CoGe
Alex-ID
agm005235248
Elements
2
Sites
8
Space group
Cm (#8)
Crystal system
monoclinic
Volume
112.07
ų
Cell a
6.5413
Å
Cell b
6.5413
Å
Cell c
4.8255
Å
α angle
78.71
°
β angle
78.71
°
γ angle
33.68
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CoGe
Co
4.00 · 50.0%
Ge
4.00 · 50.0%

Energy & Stability

Energy above hull
0.2291
eV/atom
Formation energy
0.0171
eV/atom
Corrected total energy
-46.8280
eV
Raw total energy
-46.8280
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0025
eV
DOS at Fermi level
6.9184
Total magnetisation
0.7808
μB

Additional Information

Prototype ID

AB_3375_spg8

Decomposition

CoGe

Computed at

2023-04-21 00:39:59.902996

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: agm005235248).

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 agm005235248
data_agm005235248
_cell_length_a     6.54131
_cell_length_b     6.54131
_cell_length_c     4.82548
_cell_angle_alpha  78.70782
_cell_angle_beta   78.70782
_cell_angle_gamma  33.67750
_cell_volume       112.07309
_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 0.79878 0.79878 0.27820 1.00000
  Co2 Co 0.33270 0.33270 0.96871 1.00000
  Co3 Co 0.36680 0.36680 0.47722 1.00000
  Co4 Co 0.12164 0.12164 0.87096 1.00000
  Ge1 Ge 0.95785 0.95785 0.68410 1.00000
  Ge2 Ge 0.17256 0.17256 0.34351 1.00000
  Ge3 Ge 0.74026 0.74026 0.78791 1.00000
  Ge4 Ge 0.50964 0.50964 0.08939 1.00000
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