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LaEuSi4

Alexandria ALEX

Alex-ID: agm075862873 · Space group: I-4m2 (#119)

Basic Information

Formula
LaEuSi4
Alex-ID
agm075862873
Elements
3
Sites
6
Space group
I-4m2 (#119)
Crystal system
tetragonal
Volume
128.08
ų
Cell a
7.4828
Å
Cell b
7.4828
Å
Cell c
7.4828
Å
α angle
146.35
°
β angle
146.35
°
γ angle
48.32
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaEuSi4
La
1.00 · 16.7%
Eu
1.00 · 16.7%
Si
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5978
eV/atom
Corrected total energy
-40.4806
eV
Raw total energy
-40.4806
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0024
eV
DOS at Fermi level
1.9492
Total magnetisation
-6.9140
μB

Additional Information

Prototype ID

ABC4_479_spg119

Decomposition

EuSi2 LaSi2

Computed at

2025-01-10 04:36:29

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: agm075862873).

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 agm075862873
data_agm075862873
_cell_length_a     7.48279
_cell_length_b     7.48279
_cell_length_c     7.48279
_cell_angle_alpha  146.35420
_cell_angle_beta   146.35420
_cell_angle_gamma  48.32096
_cell_volume       128.07902
_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 0.25000 0.75000 0.50000 1.00000
  Eu1 Eu 0.00000 0.00000 0.00000 1.00000
  Si1 Si 0.41483 0.41483 0.00000 1.00000
  Si2 Si 0.58517 0.58517 0.00000 1.00000
  Si3 Si 0.66470 0.16470 0.50000 1.00000
  Si4 Si 0.83530 0.33530 0.50000 1.00000
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