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Dy3(SiSn)2

Alexandria ALEX

Alex-ID: agm010076151 · Space group: C2/m (#12)

Basic Information

Formula
Dy3(SiSn)2
Alex-ID
agm010076151
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
165.63
ų
Cell a
5.5743
Å
Cell b
5.5743
Å
Cell c
7.7983
Å
α angle
86.31
°
β angle
86.31
°
γ angle
43.25
°

Composition

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

Energy & Stability

Energy above hull
0.0702
eV/atom
Formation energy
-0.6580
eV/atom
Corrected total energy
-37.2691
eV
Raw total energy
-37.2691
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.1569
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_31_spg12

Decomposition

DySi DySn2

Computed at

2024-06-01 16:17:51.526524

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: agm010076151).

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 agm010076151
data_agm010076151
_cell_length_a     5.57428
_cell_length_b     5.57428
_cell_length_c     7.79829
_cell_angle_alpha  86.31455
_cell_angle_beta   86.31455
_cell_angle_gamma  43.24898
_cell_volume       165.62818
_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 0.36496 0.36496 0.36077 1.00000
  Dy3 Dy 0.63504 0.63504 0.63923 1.00000
  Si1 Si 0.92401 0.92401 0.62453 1.00000
  Si2 Si 0.07599 0.07599 0.37547 1.00000
  Sn1 Sn 0.31419 0.31419 0.83477 1.00000
  Sn2 Sn 0.68581 0.68581 0.16523 1.00000
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