Navigation

HEAS Data Platform · Materials Science Database

Eu6Ga2Ru

Alexandria ALEX

Alex-ID: agm002276216 · Space group: P-62m (#189)

Basic Information

Formula
Eu6Ga2Ru
Alex-ID
agm002276216
Elements
3
Sites
9
Space group
P-62m (#189)
Crystal system
hexagonal
Volume
266.59
ų
Cell a
4.3349
Å
Cell b
8.4268
Å
Cell c
8.4268
Å
α angle
120.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu6Ga2Ru
Eu
6.00 · 66.7%
Ru
1.00 · 11.1%
Ga
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0376
eV/atom
Formation energy
-0.1965
eV/atom
Corrected total energy
-78.7491
eV
Raw total energy
-78.7491
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.7520
Total magnetisation
-1.1672
μB

Additional Information

Prototype ID

AB2C6_1_spg189

Decomposition

Eu3Ga2 EuGaRu Eu

Computed at

2018-12-14 06:00:37

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: agm002276216).

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 agm002276216
data_agm002276216
_cell_length_a     4.33493
_cell_length_b     8.42683
_cell_length_c     8.42683
_cell_angle_alpha  120.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       266.58852
_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 0.00000 0.75717 0.75717 1.00000
  Eu2 Eu 0.00000 0.24283 0.00000 1.00000
  Eu3 Eu 0.00000 0.00000 0.24283 1.00000
  Eu4 Eu 0.50000 1.00000 0.59349 1.00000
  Eu5 Eu 0.50000 0.59349 1.00000 1.00000
  Eu6 Eu 0.50000 0.40651 0.40651 1.00000
  Ru1 Ru 0.50000 0.00000 0.00000 1.00000
  Ga1 Ga 0.00000 0.66667 0.33333 1.00000
  Ga2 Ga 0.00000 0.33333 0.66667 1.00000
Get direct link