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Dy3(SiGe)2

Alexandria ALEX

Alex-ID: agm009408482 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Dy3(SiGe)2
Alex-ID
agm009408482
Elements
3
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
161.34
ų
Cell a
4.2097
Å
Cell b
4.2097
Å
Cell c
10.8228
Å
α angle
78.83
°
β angle
78.83
°
γ angle
59.65
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3(SiGe)2
Dy
3.00 · 42.9%
Si
2.00 · 28.6%
Ge
2.00 · 28.6%

Energy & Stability

Energy above hull
0.3759
eV/atom
Formation energy
-0.3954
eV/atom
Corrected total energy
-36.6598
eV
Raw total energy
-36.6598
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.9025
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_296_spg12

Decomposition

Dy3Ge4 Dy10Si17 DyGe

Computed at

2024-07-13 15:44:50.992580

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: agm009408482).

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 agm009408482
data_agm009408482
_cell_length_a     4.20971
_cell_length_b     4.20971
_cell_length_c     10.82283
_cell_angle_alpha  78.83121
_cell_angle_beta   78.83121
_cell_angle_gamma  59.65480
_cell_volume       161.34327
_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 0.00000 0.00000 1.00000
  Dy2 Dy 0.88115 0.88115 0.36109 1.00000
  Dy3 Dy 0.11885 0.11885 0.63891 1.00000
  Si1 Si 0.39358 0.39358 0.81917 1.00000
  Si2 Si 0.60642 0.60642 0.18083 1.00000
  Ge1 Ge 0.72937 0.72937 0.80932 1.00000
  Ge2 Ge 0.27063 0.27063 0.19068 1.00000
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