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Dy2Ga6Ru

Alexandria ALEX

Alex-ID: agm017376018 · Space group: Fm-3m (#225)

Basic Information

Formula
Dy2Ga6Ru
Alex-ID
agm017376018
Elements
3
Sites
9
Space group
Fm-3m (#225)
Crystal system
cubic
Volume
168.62
ų
Cell a
6.2012
Å
Cell b
6.2012
Å
Cell c
6.2012
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Ga6Ru
Dy
2.00 · 22.2%
Ga
6.00 · 66.7%
Ru
1.00 · 11.1%

Energy & Stability

Energy above hull
0.0282
eV/atom
Formation energy
-0.5495
eV/atom
Corrected total energy
-41.6044
eV
Raw total energy
-41.6044
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.6396
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_322_spg12

Decomposition

Dy4Ga12Ru DyGa2 Dy2(Ga3Ru)3

Computed at

2025-03-11 05:01:30

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: agm017376018).

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 agm017376018
data_agm017376018
_cell_length_a     6.20118
_cell_length_b     6.20118
_cell_length_c     6.20118
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       168.61958
_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
  Dy1 Dy 0.25000 0.25000 0.25000 1.00000
  Dy2 Dy 0.75000 0.75000 0.75000 1.00000
  Ga1 Ga 0.21709 0.21709 0.78291 1.00000
  Ga2 Ga 0.21709 0.78291 0.21709 1.00000
  Ga3 Ga 0.78291 0.21709 0.78291 1.00000
  Ga4 Ga 0.78291 0.78291 0.21709 1.00000
  Ga5 Ga 0.78291 0.21709 0.21709 1.00000
  Ga6 Ga 0.21709 0.78291 0.78291 1.00000
  Ru1 Ru 0.50000 0.50000 0.50000 1.00000
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