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Dy4GaRu2

Alexandria ALEX

Alex-ID: agm003458151 · Space group: C2 (#5)

Basic Information

Formula
Dy4GaRu2
Alex-ID
agm003458151
Elements
3
Sites
14
Space group
C2 (#5)
Crystal system
monoclinic
Volume
333.07
ų
Cell a
8.7327
Å
Cell b
6.6701
Å
Cell c
6.6719
Å
α angle
98.37
°
β angle
108.56
°
γ angle
109.55
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4GaRu2
Dy
8.00 · 57.1%
Ga
2.00 · 14.3%
Ru
4.00 · 28.6%

Energy & Stability

Energy above hull
0.1643
eV/atom
Formation energy
-0.2959
eV/atom
Corrected total energy
-84.1351
eV
Raw total energy
-84.1351
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0197
eV
DOS at Fermi level
9.4507
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_905_spg9

Decomposition

Dy3(GaRu)2 Dy5Ru2

Computed at

2022-02-17 14:23:31.450021

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: agm003458151).

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 agm003458151
data_agm003458151
_cell_length_a     8.73266
_cell_length_b     6.67007
_cell_length_c     6.67193
_cell_angle_alpha  98.36788
_cell_angle_beta   108.56100
_cell_angle_gamma  109.54771
_cell_volume       333.07260
_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 0.93635 0.21050 0.34260 1.00000
  Dy2 Dy 0.39070 0.48999 0.30194 1.00000
  Dy3 Dy 0.85946 0.66151 0.59930 1.00000
  Dy4 Dy 0.76401 0.13641 0.72643 1.00000
  Dy5 Dy 0.37396 0.97558 0.27193 1.00000
  Dy6 Dy 0.31434 0.15638 0.77487 1.00000
  Dy7 Dy 0.48574 0.71250 0.87227 1.00000
  Dy8 Dy 0.87548 0.64759 0.10137 1.00000
  Ga1 Ga 0.17914 0.68250 0.52043 1.00000
  Ga2 Ga 0.07081 0.09144 0.00311 1.00000
  Ru1 Ru 0.58380 0.38855 0.67481 1.00000
  Ru2 Ru 0.66619 0.84139 0.30451 1.00000
  Ru3 Ru 0.62506 0.30939 0.18501 1.00000
  Ru4 Ru 0.12497 0.44628 0.82141 1.00000
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