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Co5Ge6Pt

Alexandria ALEX

Alex-ID: agm003674963 · Space group: C2/m (#12)

Basic Information

Formula
Co5Ge6Pt
Alex-ID
agm003674963
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
161.05
ų
Cell a
7.6186
Å
Cell b
4.9923
Å
Cell c
5.0066
Å
α angle
60.09
°
β angle
83.72
°
γ angle
77.33
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co5Ge6Pt
Co
5.00 · 41.7%
Ge
6.00 · 50.0%
Pt
1.00 · 8.3%

Energy & Stability

Energy above hull
0.2273
eV/atom
Formation energy
-0.0269
eV/atom
Corrected total energy
-69.7338
eV
Raw total energy
-69.7338
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0034
eV
DOS at Fermi level
10.7016
Total magnetisation
0.3147
μB

Additional Information

Prototype ID

AB5C6_52_spg12

Decomposition

CoGe GePt

Computed at

2022-04-09 20:16:26.174266

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: agm003674963).

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 agm003674963
data_agm003674963
_cell_length_a     7.61864
_cell_length_b     4.99229
_cell_length_c     5.00656
_cell_angle_alpha  60.09422
_cell_angle_beta   83.72317
_cell_angle_gamma  77.33270
_cell_volume       161.04868
_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 0.50000 0.15889 0.68222 1.00000
  Co2 Co 1.00000 0.33270 0.33461 1.00000
  Co3 Co 0.50000 0.50000 0.00000 1.00000
  Co4 Co 0.00000 0.66730 0.66539 1.00000
  Co5 Co 0.50000 0.84111 0.31778 1.00000
  Ge1 Ge 0.74052 0.08643 0.34932 1.00000
  Ge2 Ge 0.25948 0.56425 0.34932 1.00000
  Ge3 Ge 0.25481 0.26571 1.00000 1.00000
  Ge4 Ge 0.74519 0.73429 0.00000 1.00000
  Ge5 Ge 0.74052 0.43575 0.65068 1.00000
  Ge6 Ge 0.25948 0.91357 0.65068 1.00000
  Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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