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Dy3Cd8Ag3

Alexandria ALEX

Alex-ID: agm005688902 · Space group: Immm (#71)

Basic Information

Formula
Dy3Cd8Ag3
Alex-ID
agm005688902
Elements
3
Sites
14
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
320.44
ų
Cell a
4.8363
Å
Cell b
8.5593
Å
Cell c
8.5593
Å
α angle
75.55
°
β angle
73.59
°
γ angle
73.59
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Cd8Ag3
Dy
3.00 · 21.4%
Cd
8.00 · 57.1%
Ag
3.00 · 21.4%

Energy & Stability

Energy above hull
0.0500
eV/atom
Formation energy
-0.1965
eV/atom
Corrected total energy
-32.5052
eV
Raw total energy
-32.5052
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0441
eV
DOS at Fermi level
9.8258
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B3C8_24_spg71

Decomposition

Dy11Cd45 CdAg DyCd2Ag

Computed at

2023-06-29 09:21:23.068328

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: agm005688902).

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 agm005688902
data_agm005688902
_cell_length_a     4.83630
_cell_length_b     8.55929
_cell_length_c     8.55929
_cell_angle_alpha  75.55205
_cell_angle_beta   73.58950
_cell_angle_gamma  73.58950
_cell_volume       320.44317
_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 0.50000 0.50000 0.50000 1.00000
  Dy2 Dy 0.78823 0.21177 0.21177 1.00000
  Dy3 Dy 0.21177 0.78823 0.78823 1.00000
  Cd1 Cd 0.63766 0.08165 0.64302 1.00000
  Cd2 Cd 0.36234 0.91835 0.35698 1.00000
  Cd3 Cd 0.63766 0.64302 0.08165 1.00000
  Cd4 Cd 0.36234 0.35698 0.91835 1.00000
  Cd5 Cd 0.86102 0.77188 0.50608 1.00000
  Cd6 Cd 0.13898 0.22812 0.49392 1.00000
  Cd7 Cd 0.86102 0.50608 0.77188 1.00000
  Cd8 Cd 0.13898 0.49392 0.22812 1.00000
  Ag1 Ag 0.50000 0.00000 0.00000 1.00000
  Ag2 Ag 0.00000 0.85141 0.14859 1.00000
  Ag3 Ag 1.00000 0.14859 0.85141 1.00000
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