Co(Ge3Pt)2

Alexandria ALEX

Alex-ID: agm005648038 · Space group: P4_2/mnm (#136)

Alexandria Database API

Basic Information

Formula

Co(Ge3Pt)2

Alex-ID

agm005648038

Elements

Sites

Space group

P4_2/mnm (#136)

Crystal system

tetragonal

Volume

355.04

Å³

Cell a

5.7569

Cell b

5.7569

Cell c

10.7128

α angle

90.00

β angle

90.00

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Co(Ge3Pt)2

2.00 · 11.1%

12.00 · 66.7%

4.00 · 22.2%

Energy & Stability

Energy above hull

0.1320

eV/atom

Formation energy

-0.1508

eV/atom

Corrected total energy

-96.7229

Raw total energy

-96.7229

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0117

DOS at Fermi level

4.9823

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

AB2C6_458_spg136

Decomposition

Co5Ge7 Ge3Pt2 Ge

Computed at

2023-07-06 21:58:34.677004

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: agm005648038).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm005648038
data_agm005648038
_cell_length_a     5.75686
_cell_length_b     5.75686
_cell_length_c     10.71278
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       355.03638
_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 0.50000 0.00000 1.00000
  Co2 Co 0.00000 0.00000 0.50000 1.00000
  Ge1 Ge 0.69442 0.69442 0.15880 1.00000
  Ge2 Ge 0.69442 0.69442 0.84120 1.00000
  Ge3 Ge 0.72520 0.72520 0.50000 1.00000
  Ge4 Ge 0.77480 0.22520 0.00000 1.00000
  Ge5 Ge 0.80558 0.19442 0.34120 1.00000
  Ge6 Ge 0.80558 0.19442 0.65880 1.00000
  Ge7 Ge 0.19442 0.80558 0.34120 1.00000
  Ge8 Ge 0.19442 0.80558 0.65880 1.00000
  Ge9 Ge 0.22520 0.77480 0.00000 1.00000
  Ge10 Ge 0.27480 0.27480 0.50000 1.00000
  Ge11 Ge 0.30558 0.30558 0.15880 1.00000
  Ge12 Ge 0.30558 0.30558 0.84120 1.00000
  Pt1 Pt 0.50000 0.50000 0.34246 1.00000
  Pt2 Pt 0.50000 0.50000 0.65754 1.00000
  Pt3 Pt 0.00000 0.00000 0.15754 1.00000
  Pt4 Pt 0.00000 0.00000 0.84246 1.00000

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