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Dy3(CoSi2)2

Alexandria ALEX

Alex-ID: agm005656076 · Space group: C2/m (#12)

Basic Information

Formula
Dy3(CoSi2)2
Alex-ID
agm005656076
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
165.37
ų
Cell a
3.9151
Å
Cell b
5.7031
Å
Cell c
8.0259
Å
α angle
100.08
°
β angle
90.00
°
γ angle
110.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3(CoSi2)2
Dy
3.00 · 33.3%
Co
2.00 · 22.2%
Si
4.00 · 44.4%

Energy & Stability

Energy above hull
0.1053
eV/atom
Formation energy
-0.7188
eV/atom
Corrected total energy
-56.2201
eV
Raw total energy
-56.2201
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.2620
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_300_spg12

Decomposition

Dy(CoSi)2 DySi

Computed at

2023-06-28 07:23:03.397348

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: agm005656076).

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 agm005656076
data_agm005656076
_cell_length_a     3.91508
_cell_length_b     5.70310
_cell_length_c     8.02591
_cell_angle_alpha  100.07519
_cell_angle_beta   90.00000
_cell_angle_gamma  110.07447
_cell_volume       165.37066
_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 0.66618 0.33237 0.65883 1.00000
  Dy2 Dy 0.00000 0.00000 0.00000 1.00000
  Dy3 Dy 0.33382 0.66763 0.34117 1.00000
  Co1 Co 0.60711 0.21422 0.27689 1.00000
  Co2 Co 0.39289 0.78578 0.72311 1.00000
  Si1 Si 0.71820 0.43640 0.06775 1.00000
  Si2 Si 0.28180 0.56360 0.93225 1.00000
  Si3 Si 0.94436 0.88872 0.61994 1.00000
  Si4 Si 0.05564 0.11128 0.38006 1.00000
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