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Eu3Ga2Ag

Alexandria ALEX

Alex-ID: agm097935758 · Space group: P4/mmm (#123)

Basic Information

Formula
Eu3Ga2Ag
Alex-ID
agm097935758
Elements
3
Sites
6
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
160.60
ų
Cell a
3.7975
Å
Cell b
3.7975
Å
Cell c
11.1368
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu3Ga2Ag
Eu
3.00 · 50.0%
Ga
2.00 · 33.3%
Ag
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0048
eV/atom
Formation energy
-0.4101
eV/atom
Corrected total energy
-42.1939
eV
Raw total energy
-42.1939
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
19.0349
Total magnetisation
21.0964
μB

Additional Information

Prototype ID

AB2C3_125_spg123

Decomposition

EuGa EuAg

Computed at

2025-04-14 10:32:43

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: agm097935758).

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 agm097935758
data_agm097935758
_cell_length_a     3.79751
_cell_length_b     3.79751
_cell_length_c     11.13680
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       160.60466
_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 0.50000 0.50000 0.32564 1.00000
  Eu2 Eu 0.50000 0.50000 0.67436 1.00000
  Eu3 Eu 0.50000 0.50000 0.00000 1.00000
  Ga1 Ga 0.00000 0.00000 0.15934 1.00000
  Ga2 Ga 0.00000 0.00000 0.84066 1.00000
  Ag1 Ag 0.00000 0.00000 0.50000 1.00000
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