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Dy5Ru4

Alexandria ALEX

Alex-ID: agm003292005 · Space group: C2/m (#12)

Basic Information

Formula
Dy5Ru4
Alex-ID
agm003292005
Elements
2
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
203.35
ų
Cell a
4.3418
Å
Cell b
5.6176
Å
Cell c
9.4592
Å
α angle
74.99
°
β angle
76.73
°
γ angle
67.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Ru4
Dy
5.00 · 55.6%
Ru
4.00 · 44.4%

Energy & Stability

Energy above hull
0.0807
eV/atom
Formation energy
-0.2809
eV/atom
Corrected total energy
-62.6503
eV
Raw total energy
-62.6502
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
10.1704
Total magnetisation
0.0036
μB

Additional Information

Prototype ID

A4B5_84_spg12

Decomposition

Dy4Ru3 DyRu2

Computed at

2022-01-17 01:39:12.683158

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: agm003292005).

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 agm003292005
data_agm003292005
_cell_length_a     4.34181
_cell_length_b     5.61764
_cell_length_c     9.45921
_cell_angle_alpha  74.98764
_cell_angle_beta   76.73227
_cell_angle_gamma  67.26657
_cell_volume       203.35070
_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 0.11151 0.17191 0.60507 1.00000
  Dy2 Dy 0.88849 0.82809 0.39493 1.00000
  Dy3 Dy 0.75516 0.66425 0.82544 1.00000
  Dy4 Dy 0.24484 0.33575 0.17456 1.00000
  Dy5 Dy 0.00000 0.00000 0.00000 1.00000
  Ru1 Ru 0.45032 0.25049 0.84887 1.00000
  Ru2 Ru 0.54968 0.74951 0.15113 1.00000
  Ru3 Ru 0.39745 0.59101 0.61410 1.00000
  Ru4 Ru 0.60255 0.40899 0.38590 1.00000
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