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La2Co

Alexandria ALEX

Alex-ID: agm003201263 · Space group: Cmcm (#63)

Basic Information

Formula
La2Co
Alex-ID
agm003201263
Elements
2
Sites
6
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
163.55
ų
Cell a
6.4665
Å
Cell b
6.4665
Å
Cell c
14.1661
Å
α angle
146.38
°
β angle
146.38
°
γ angle
34.24
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Co
Co
2.00 · 33.3%
La
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0295
eV/atom
Formation energy
-0.0882
eV/atom
Corrected total energy
-34.4866
eV
Raw total energy
-34.4866
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0061
eV
DOS at Fermi level
5.8223
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_7_spg36

Decomposition

LaCo La7Co3

Computed at

2021-12-03 00:30:55.617857

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: agm003201263).

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 agm003201263
data_agm003201263
_cell_length_a     6.46654
_cell_length_b     6.46654
_cell_length_c     14.16614
_cell_angle_alpha  146.37933
_cell_angle_beta   146.37933
_cell_angle_gamma  34.23894
_cell_volume       163.54894
_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 0.00393 0.00393 0.02597 1.00000
  Co2 Co 0.27435 0.27435 0.53010 1.00000
  La1 La 0.13888 0.13888 0.77781 1.00000
  La2 La 0.61943 0.61943 0.52837 1.00000
  La3 La 0.63896 0.63896 0.27781 1.00000
  La4 La 0.65779 0.65779 0.02660 1.00000
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