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La2Dy(CoSi)2

Alexandria ALEX

Alex-ID: agm026326469 · Space group: R-3m (#166)

Basic Information

Formula
La2Dy(CoSi)2
Alex-ID
agm026326469
Elements
4
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
164.83
ų
Cell a
12.0789
Å
Cell b
12.0789
Å
Cell c
12.0789
Å
α angle
19.09
°
β angle
19.09
°
γ angle
19.09
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Dy(CoSi)2
La
2.00 · 28.6%
Dy
1.00 · 14.3%
Co
2.00 · 28.6%
Si
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0541
eV/atom
Formation energy
-0.5607
eV/atom
Corrected total energy
-43.4774
eV
Raw total energy
-43.4774
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.9635
Total magnetisation
-0.0004
μB

Additional Information

Prototype ID

AB2C2D2_139_spg166

Decomposition

La5CoSi2 LaCoSi La4Co DyCoSi

Computed at

2025-05-28 16:03:59

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: agm026326469).

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 agm026326469
data_agm026326469
_cell_length_a     12.07889
_cell_length_b     12.07889
_cell_length_c     12.07889
_cell_angle_alpha  19.09449
_cell_angle_beta   19.09449
_cell_angle_gamma  19.09449
_cell_volume       164.83327
_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 0.89037 0.89037 0.89037 1.00000
  La2 La 0.10963 0.10963 0.10963 1.00000
  Dy1 Dy 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.39339 0.39339 0.39339 1.00000
  Co2 Co 0.60661 0.60661 0.60661 1.00000
  Si1 Si 0.27996 0.27996 0.27996 1.00000
  Si2 Si 0.72004 0.72004 0.72004 1.00000
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