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LaEuGa4

Alexandria ALEX

Alex-ID: agm089573293 · Space group: Immm (#71)

Basic Information

Formula
LaEuGa4
Alex-ID
agm089573293
Elements
3
Sites
6
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
144.83
ų
Cell a
6.2183
Å
Cell b
6.2183
Å
Cell c
6.2183
Å
α angle
139.24
°
β angle
106.07
°
γ angle
88.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaEuGa4
La
1.00 · 16.7%
Eu
1.00 · 16.7%
Ga
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0223
eV/atom
Formation energy
-0.6113
eV/atom
Corrected total energy
-30.9868
eV
Raw total energy
-30.9868
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
13.8071
Total magnetisation
7.0267
μB

Additional Information

Prototype ID

ABC4_123_spg12

Decomposition

LaGa2 EuGa2

Computed at

2025-03-15 06:22:44

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: agm089573293).

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 agm089573293
data_agm089573293
_cell_length_a     6.21832
_cell_length_b     6.21832
_cell_length_c     6.21832
_cell_angle_alpha  139.24123
_cell_angle_beta   106.06594
_cell_angle_gamma  88.03961
_cell_volume       144.83445
_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 0.00000 0.00000 0.00000 1.00000
  Eu1 Eu 0.50000 0.50000 0.00000 1.00000
  Ga1 Ga 0.58887 0.25621 0.33266 1.00000
  Ga2 Ga 0.41113 0.74379 0.66734 1.00000
  Ga3 Ga 0.92355 0.25621 0.66734 1.00000
  Ga4 Ga 0.07645 0.74379 0.33266 1.00000
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