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La6CoPb

Alexandria ALEX

Alex-ID: agm003775813 · Space group: C2/m (#12)

Basic Information

Formula
La6CoPb
Alex-ID
agm003775813
Elements
3
Sites
8
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
266.21
ų
Cell a
6.5318
Å
Cell b
8.2116
Å
Cell c
6.5902
Å
α angle
51.46
°
β angle
80.31
°
γ angle
74.33
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La6CoPb
La
6.00 · 75.0%
Co
1.00 · 12.5%
Pb
1.00 · 12.5%

Energy & Stability

Energy above hull
0.0866
eV/atom
Formation energy
-0.1715
eV/atom
Corrected total energy
-41.7685
eV
Raw total energy
-41.7685
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.5873
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC6_31_spg12

Decomposition

La5CoPb2 La4Co La3Pb

Computed at

2022-04-20 00:42:02.472277

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: agm003775813).

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 agm003775813
data_agm003775813
_cell_length_a     6.53181
_cell_length_b     8.21162
_cell_length_c     6.59023
_cell_angle_alpha  51.46335
_cell_angle_beta   80.30958
_cell_angle_gamma  74.32518
_cell_volume       266.21187
_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 0.78836 0.58502 0.60861 1.00000
  La2 La 0.78836 0.19363 0.39139 1.00000
  La3 La 0.21164 0.80637 0.60861 1.00000
  La4 La 0.21164 0.41498 0.39139 1.00000
  La5 La 0.60570 0.78019 0.00000 1.00000
  La6 La 0.39430 0.21981 1.00000 1.00000
  Co1 Co 0.50000 0.50000 0.00000 1.00000
  Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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