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DyGe2Ru

Alexandria ALEX

Alex-ID: agm005713434 · Space group: Immm (#71)

Basic Information

Formula
DyGe2Ru
Alex-ID
agm005713434
Elements
3
Sites
16
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
306.84
ų
Cell a
4.2361
Å
Cell b
9.0826
Å
Cell c
9.4187
Å
α angle
118.83
°
β angle
103.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyGe2Ru
Dy
4.00 · 25.0%
Ge
8.00 · 50.0%
Ru
4.00 · 25.0%

Energy & Stability

Energy above hull
0.0469
eV/atom
Formation energy
-0.6335
eV/atom
Corrected total energy
-102.5931
eV
Raw total energy
-102.5931
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0397
eV
DOS at Fermi level
9.9038
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_201_spg71

Decomposition

Dy2Ge5Ru3 DyGe

Computed at

2023-07-12 02:40:46.081333

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: agm005713434).

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 agm005713434
data_agm005713434
_cell_length_a     4.23607
_cell_length_b     9.08259
_cell_length_c     9.41872
_cell_angle_alpha  118.82626
_cell_angle_beta   102.99553
_cell_angle_gamma  90.00000
_cell_volume       306.83996
_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 0.70868 0.70868 0.41737 1.00000
  Dy2 Dy 0.50000 0.25831 1.00000 1.00000
  Dy3 Dy 0.50000 0.74169 0.00000 1.00000
  Dy4 Dy 0.29132 0.29132 0.58263 1.00000
  Ge1 Ge 0.92146 0.42146 0.84292 1.00000
  Ge2 Ge 0.70018 0.35805 0.40037 1.00000
  Ge3 Ge 0.70018 0.04232 0.40037 1.00000
  Ge4 Ge 0.29982 0.64195 0.59963 1.00000
  Ge5 Ge 0.08094 0.08094 0.16189 1.00000
  Ge6 Ge 0.07854 0.57854 0.15708 1.00000
  Ge7 Ge 0.91906 0.91906 0.83811 1.00000
  Ge8 Ge 0.29982 0.95768 0.59963 1.00000
  Ru1 Ru 0.85748 0.60806 0.71497 1.00000
  Ru2 Ru 0.14252 0.39194 0.28503 1.00000
  Ru3 Ru 0.14252 0.89310 0.28503 1.00000
  Ru4 Ru 0.85748 0.10690 0.71497 1.00000
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