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Eu2Al2Ga

Alexandria ALEX

Alex-ID: agm002327273 · Space group: Immm (#71)

Basic Information

Formula
Eu2Al2Ga
Alex-ID
agm002327273
Elements
3
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
125.04
ų
Cell a
4.3644
Å
Cell b
6.1784
Å
Cell c
6.1787
Å
α angle
54.90
°
β angle
69.31
°
γ angle
69.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu2Al2Ga
Eu
2.00 · 40.0%
Al
2.00 · 40.0%
Ga
1.00 · 20.0%

Energy & Stability

Energy above hull
0.1002
eV/atom
Formation energy
-0.3185
eV/atom
Corrected total energy
-32.6618
eV
Raw total energy
-32.6618
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0020
eV
DOS at Fermi level
12.6189
Total magnetisation
14.5539
μB

Additional Information

Prototype ID

AB2C2_47_spg71

Decomposition

EuAl2 EuGa

Computed at

2023-03-24 02:53:15.328187

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: agm002327273).

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 agm002327273
data_agm002327273
_cell_length_a     4.36444
_cell_length_b     6.17843
_cell_length_c     6.17866
_cell_angle_alpha  54.89546
_cell_angle_beta   69.31245
_cell_angle_gamma  69.31162
_cell_volume       125.03802
_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
  Eu1 Eu 0.79517 0.70473 0.70475 1.00000
  Eu2 Eu 0.20483 0.29527 0.29525 1.00000
  Al1 Al 0.50001 0.26292 0.73706 1.00000
  Al2 Al 0.49999 0.73708 0.26294 1.00000
  Ga1 Ga 0.00000 0.00000 0.00000 1.00000
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