Navigation

HEAS Data Platform · Materials Science Database

La6CoGe2

Alexandria ALEX

Alex-ID: agm097915134 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
La6CoGe2
Alex-ID
agm097915134
Elements
3
Sites
9
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
260.14
ų
Cell a
5.1067
Å
Cell b
5.1067
Å
Cell c
9.9755
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La6CoGe2
La
6.00 · 66.7%
Co
1.00 · 11.1%
Ge
2.00 · 22.2%

Energy & Stability

Energy above hull
0.1836
eV/atom
Formation energy
-0.3203
eV/atom
Corrected total energy
-48.8062
eV
Raw total energy
-48.8061
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.2349
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_4347_spg65

Decomposition

La5CoGe2 La

Computed at

2025-04-06 20:11:00

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: agm097915134).

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 agm097915134
data_agm097915134
_cell_length_a     5.10668
_cell_length_b     5.10668
_cell_length_c     9.97551
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       260.14275
_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
  La1 La 0.50000 0.50000 0.76870 1.00000
  La2 La 0.50000 0.50000 0.23130 1.00000
  La3 La 0.50000 0.00000 0.50000 1.00000
  La4 La 0.50000 0.00000 0.00000 1.00000
  La5 La 0.00000 0.50000 0.50000 1.00000
  La6 La 0.00000 0.50000 0.00000 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
  Ge1 Ge 0.00000 0.00000 0.76155 1.00000
  Ge2 Ge 0.00000 0.00000 0.23845 1.00000
Get direct link