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La6ZnCo2

Alexandria ALEX

Alex-ID: agm003498546 · Space group: C2/m (#12)

Basic Information

Formula
La6ZnCo2
Alex-ID
agm003498546
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
251.40
ų
Cell a
5.3655
Å
Cell b
6.8494
Å
Cell c
9.6052
Å
α angle
125.63
°
β angle
90.00
°
γ angle
113.06
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La6ZnCo2
La
6.00 · 66.7%
Zn
1.00 · 11.1%
Co
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0942
eV/atom
Formation energy
-0.0663
eV/atom
Corrected total energy
-45.6874
eV
Raw total energy
-45.6874
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0101
eV
DOS at Fermi level
7.9623
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_680_spg12

Decomposition

LaZn La15Zn2Co5 LaZnCo

Computed at

2022-02-24 04:42:22.983976

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: agm003498546).

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 agm003498546
data_agm003498546
_cell_length_a     5.36549
_cell_length_b     6.84938
_cell_length_c     9.60517
_cell_angle_alpha  125.63097
_cell_angle_beta   90.00000
_cell_angle_gamma  113.05889
_cell_volume       251.39655
_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 0.99035 0.98069 0.83298 1.00000
  La2 La 0.71006 0.42012 0.11984 1.00000
  La3 La 0.28994 0.57988 0.88016 1.00000
  La4 La 0.63236 0.26473 0.49503 1.00000
  La5 La 0.36764 0.73527 0.50497 1.00000
  La6 La 0.00965 0.01931 0.16702 1.00000
  Zn1 Zn 0.00000 0.00000 0.50000 1.00000
  Co1 Co 0.70386 0.40772 0.80420 1.00000
  Co2 Co 0.29614 0.59228 0.19580 1.00000
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