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La8Co3

Alexandria ALEX

Alex-ID: agm047417092 · Space group: C2/m (#12)

Basic Information

Formula
La8Co3
Alex-ID
agm047417092
Elements
2
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
337.41
ų
Cell a
3.8765
Å
Cell b
7.5264
Å
Cell c
11.7360
Å
α angle
92.10
°
β angle
99.57
°
γ angle
89.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La8Co3
La
8.00 · 72.7%
Co
3.00 · 27.3%

Energy & Stability

Energy above hull
0.0384
eV/atom
Formation energy
-0.0764
eV/atom
Corrected total energy
-61.6311
eV
Raw total energy
-61.6311
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.3920
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B8_7_spg12

Decomposition

La5Co2 La4Co

Computed at

2024-11-01 18:18:08.088208

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: agm047417092).

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 agm047417092
data_agm047417092
_cell_length_a     3.87650
_cell_length_b     7.52642
_cell_length_c     11.73605
_cell_angle_alpha  92.10261
_cell_angle_beta   99.57393
_cell_angle_gamma  89.97888
_cell_volume       337.41062
_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 0.38078 0.49332 0.76213 1.00000
  La2 La 0.62899 0.02527 0.25428 1.00000
  La3 La 0.75634 0.27583 0.51374 1.00000
  La4 La 0.99816 0.75885 0.99559 1.00000
  La5 La 0.24366 0.72417 0.48626 1.00000
  La6 La 0.37101 0.97473 0.74572 1.00000
  La7 La 0.61922 0.50668 0.23787 1.00000
  La8 La 0.00184 0.24115 0.00441 1.00000
  Co1 Co 0.50000 0.00000 0.00000 1.00000
  Co2 Co 0.82701 0.68037 0.65580 1.00000
  Co3 Co 0.17299 0.31963 0.34420 1.00000
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