Dy11(Cu2Si3)2

Alexandria ALEX

Alex-ID: agm008577464 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula

Dy11(Cu2Si3)2

Alex-ID

agm008577464

Elements

Sites

Space group

C2/m (#12)

Crystal system

monoclinic

Volume

472.43

Å³

Cell a

8.9577

Cell b

8.9577

Cell c

13.3922

α angle

75.19

β angle

75.19

γ angle

27.11

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Dy11(Cu2Si3)2

11.00 · 52.4%

4.00 · 19.0%

6.00 · 28.6%

Energy & Stability

Energy above hull

0.0022

eV/atom

Formation energy

-0.5787

eV/atom

Corrected total energy

-111.9725

Raw total energy

-111.9725

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

12.6631

Total magnetisation

0.0001

μB

Additional Information

Prototype ID

A4B6C11_1_spg12

Decomposition

DyCuSi Dy5Si3 DyCu

Computed at

2024-03-18 06:38:33.248296

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: agm008577464).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm008577464
data_agm008577464
_cell_length_a     8.95768
_cell_length_b     8.95768
_cell_length_c     13.39218
_cell_angle_alpha  75.19227
_cell_angle_beta   75.19227
_cell_angle_gamma  27.10769
_cell_volume       472.42743
_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 0.90338 0.90338 0.27935 1.00000
  Dy2 Dy 0.86476 0.86476 0.84456 1.00000
  Dy3 Dy 0.21850 0.21850 0.39675 1.00000
  Dy4 Dy 0.55140 0.55140 0.36904 1.00000
  Dy5 Dy 0.34106 0.34106 0.10229 1.00000
  Dy6 Dy 0.44860 0.44860 0.63096 1.00000
  Dy7 Dy 0.00000 0.00000 0.00000 1.00000
  Dy8 Dy 0.13524 0.13524 0.15544 1.00000
  Dy9 Dy 0.78150 0.78150 0.60325 1.00000
  Dy10 Dy 0.65894 0.65894 0.89771 1.00000
  Dy11 Dy 0.09662 0.09662 0.72065 1.00000
  Cu1 Cu 0.75303 0.75303 0.04873 1.00000
  Cu2 Cu 0.93920 0.93920 0.47317 1.00000
  Cu3 Cu 0.06080 0.06080 0.52683 1.00000
  Cu4 Cu 0.24697 0.24697 0.95127 1.00000
  Si1 Si 0.62927 0.62927 0.55053 1.00000
  Si2 Si 0.26588 0.26588 0.76205 1.00000
  Si3 Si 0.73412 0.73412 0.23795 1.00000
  Si4 Si 0.37073 0.37073 0.44947 1.00000
  Si5 Si 0.51138 0.51138 0.15184 1.00000
  Si6 Si 0.48862 0.48862 0.84816 1.00000

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