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La5Co3

Alexandria ALEX

Alex-ID: agm005496568 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
La5Co3
Alex-ID
agm005496568
Elements
2
Sites
8
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
207.96
ų
Cell a
7.2069
Å
Cell b
7.2069
Å
Cell c
4.3149
Å
α angle
90.00
°
β angle
90.00
°
γ angle
111.88
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La5Co3
La
5.00 · 62.5%
Co
3.00 · 37.5%

Energy & Stability

Energy above hull
0.2197
eV/atom
Formation energy
0.1028
eV/atom
Corrected total energy
-45.1864
eV
Raw total energy
-45.1864
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0699
eV
DOS at Fermi level
7.4656
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B5_33_spg65

Decomposition

LaCo La7Co3

Computed at

2023-03-18 18:37:20.321479

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: agm005496568).

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 agm005496568
data_agm005496568
_cell_length_a     7.20689
_cell_length_b     7.20689
_cell_length_c     4.31487
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  111.88227
_cell_volume       207.96434
_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 0.00000 0.00000 0.00000 1.00000
  La2 La 0.50000 0.00000 0.00000 1.00000
  La3 La 0.00000 0.50000 0.00000 1.00000
  La4 La 0.69313 0.69313 0.50000 1.00000
  La5 La 0.30687 0.30687 0.50000 1.00000
  Co1 Co 0.50000 0.50000 0.00000 1.00000
  Co2 Co 0.84624 0.15376 0.50000 1.00000
  Co3 Co 0.15376 0.84624 0.50000 1.00000
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