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La5Co

Alexandria ALEX

Alex-ID: agm003196845 · Space group: C2/m (#12)

Basic Information

Formula
La5Co
Alex-ID
agm003196845
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
192.47
ų
Cell a
3.7895
Å
Cell b
6.4607
Å
Cell c
8.6094
Å
α angle
73.55
°
β angle
90.00
°
γ angle
107.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La5Co
Co
1.00 · 16.7%
La
5.00 · 83.3%

Energy & Stability

Energy above hull
0.0881
eV/atom
Formation energy
0.0025
eV/atom
Corrected total energy
-31.7462
eV
Raw total energy
-31.7462
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0186
eV
DOS at Fermi level
7.8356
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB5_68_spg12

Decomposition

La4Co La

Computed at

2021-12-03 00:09:43.501564

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: agm003196845).

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 agm003196845
data_agm003196845
_cell_length_a     3.78950
_cell_length_b     6.46074
_cell_length_c     8.60937
_cell_angle_alpha  73.54949
_cell_angle_beta   90.00000
_cell_angle_gamma  107.05391
_cell_volume       192.47100
_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 0.02805 0.05610 0.94363 1.00000
  La1 La 0.41260 0.82520 0.83244 1.00000
  La2 La 0.70673 0.41346 0.63180 1.00000
  La3 La 0.02782 0.05563 0.44493 1.00000
  La4 La 0.34882 0.69764 0.25729 1.00000
  La5 La 0.64265 0.28530 0.05657 1.00000
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