Navigation

HEAS Data Platform · Materials Science Database

Co2Ge4Pd

Alexandria ALEX

Alex-ID: agm014520064 · Space group: C2/m (#12)

Basic Information

Formula
Co2Ge4Pd
Alex-ID
agm014520064
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
106.69
ų
Cell a
6.1628
Å
Cell b
6.1628
Å
Cell c
4.8273
Å
α angle
79.78
°
β angle
100.22
°
γ angle
143.68
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co2Ge4Pd
Co
2.00 · 28.6%
Ge
4.00 · 57.1%
Pd
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0366
eV/atom
Formation energy
-0.2319
eV/atom
Corrected total energy
-39.5334
eV
Raw total energy
-39.5334
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.1135
eV
DOS at Fermi level
4.0414
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_44_spg2

Decomposition

Co5Ge7 GePd Ge

Computed at

2025-01-02 07:40:42

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: agm014520064).

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 agm014520064
data_agm014520064
_cell_length_a     6.16275
_cell_length_b     6.16275
_cell_length_c     4.82735
_cell_angle_alpha  79.78490
_cell_angle_beta   100.21510
_cell_angle_gamma  143.67710
_cell_volume       106.69061
_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 0.20871 0.79129 0.33386 1.00000
  Co2 Co 0.79129 0.20871 0.66614 1.00000
  Ge1 Ge 0.18957 0.81043 0.82322 1.00000
  Ge2 Ge 0.81043 0.18957 0.17678 1.00000
  Ge3 Ge 0.41945 0.58055 0.64625 1.00000
  Ge4 Ge 0.58055 0.41945 0.35375 1.00000
  Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Get direct link