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DySiGe

Alexandria ALEX

Alex-ID: agm005663134 · Space group: Immm (#71)

Alexandria Database API

Basic Information

Formula
DySiGe
Alex-ID
agm005663134
Elements
3
Sites
6
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
123.88
ų
Cell a
3.8955
Å
Cell b
5.9664
Å
Cell c
5.9664
Å
α angle
84.56
°
β angle
70.95
°
γ angle
70.95
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DySiGe
Dy
2.00 · 33.3%
Si
2.00 · 33.3%
Ge
2.00 · 33.3%

Energy & Stability

Energy above hull
0.1201
eV/atom
Formation energy
-0.5071
eV/atom
Corrected total energy
-32.3308
eV
Raw total energy
-32.3308
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0237
eV
DOS at Fermi level
2.0940
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_376_spg71

Decomposition

Dy10Si17 Dy3Ge5 Si

Computed at

2023-06-19 12:27:15.934130

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: agm005663134).

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 agm005663134
data_agm005663134
_cell_length_a     3.89553
_cell_length_b     5.96641
_cell_length_c     5.96641
_cell_angle_alpha  84.56301
_cell_angle_beta   70.94624
_cell_angle_gamma  70.94624
_cell_volume       123.88386
_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 0.25162 0.24838 0.24838 1.00000
  Dy2 Dy 0.74838 0.75162 0.75162 1.00000
  Si1 Si 1.00000 0.85232 0.14768 1.00000
  Si2 Si 0.00000 0.14768 0.85232 1.00000
  Ge1 Ge 0.50000 0.66907 0.33093 1.00000
  Ge2 Ge 0.50000 0.33093 0.66907 1.00000
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