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DyCuAg2

Alexandria ALEX

Alex-ID: agm005772945 · Space group: Cmcm (#63)

Basic Information

Formula
DyCuAg2
Alex-ID
agm005772945
Elements
3
Sites
8
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
155.03
ų
Cell a
4.0590
Å
Cell b
5.3217
Å
Cell c
7.7639
Å
α angle
90.00
°
β angle
90.00
°
γ angle
112.42
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyCuAg2
Dy
2.00 · 25.0%
Cu
2.00 · 25.0%
Ag
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0230
eV/atom
Formation energy
-0.2261
eV/atom
Corrected total energy
-30.7410
eV
Raw total energy
-30.7410
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0472
eV
DOS at Fermi level
3.8955
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_30_spg63

Decomposition

DyCu4Ag Dy14Ag51 DyAg2

Computed at

2023-07-11 23:21:45.993251

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: agm005772945).

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 agm005772945
data_agm005772945
_cell_length_a     4.05898
_cell_length_b     5.32168
_cell_length_c     7.76391
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  112.41649
_cell_volume       155.03252
_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 0.93772 0.87557 0.25000 1.00000
  Dy2 Dy 0.06228 0.12443 0.75000 1.00000
  Cu1 Cu 0.77082 0.54116 0.75000 1.00000
  Cu2 Cu 0.22918 0.45884 0.25000 1.00000
  Ag1 Ag 0.35946 0.71871 0.55535 1.00000
  Ag2 Ag 0.64054 0.28129 0.44465 1.00000
  Ag3 Ag 0.35946 0.71871 0.94465 1.00000
  Ag4 Ag 0.64054 0.28129 0.05535 1.00000
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