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Dy5Si2Ge5

Alexandria ALEX

Alex-ID: agm005650737 · Space group: C2/m (#12)

Basic Information

Formula
Dy5Si2Ge5
Alex-ID
agm005650737
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
259.97
ų
Cell a
4.0856
Å
Cell b
7.5970
Å
Cell c
8.9352
Å
α angle
87.74
°
β angle
76.78
°
γ angle
74.40
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Si2Ge5
Dy
5.00 · 41.7%
Si
2.00 · 16.7%
Ge
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0698
eV/atom
Formation energy
-0.6969
eV/atom
Corrected total energy
-65.3142
eV
Raw total energy
-65.3142
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.2923
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5C5_19_spg12

Decomposition

Dy3Ge4 Dy10Si17 DyGe

Computed at

2023-06-19 06:57:29.802376

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: agm005650737).

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 agm005650737
data_agm005650737
_cell_length_a     4.08556
_cell_length_b     7.59698
_cell_length_c     8.93522
_cell_angle_alpha  87.73668
_cell_angle_beta   76.78411
_cell_angle_gamma  74.40155
_cell_volume       259.97016
_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 0.00000 0.50000 0.50000 1.00000
  Dy2 Dy 0.68456 0.70105 0.92984 1.00000
  Dy3 Dy 0.36766 0.92532 0.33935 1.00000
  Dy4 Dy 0.63234 0.07468 0.66065 1.00000
  Dy5 Dy 0.31544 0.29895 0.07016 1.00000
  Si1 Si 0.38221 0.47686 0.75872 1.00000
  Si2 Si 0.61779 0.52314 0.24128 1.00000
  Ge1 Ge 0.72020 0.21689 0.34272 1.00000
  Ge2 Ge 0.94420 0.29953 0.81206 1.00000
  Ge3 Ge 0.05580 0.70047 0.18794 1.00000
  Ge4 Ge 0.27981 0.78311 0.65728 1.00000
  Ge5 Ge 0.00000 0.00000 0.00000 1.00000
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