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Dy4Co2Ag

Alexandria ALEX

Alex-ID: agm003459263 · Space group: Fdd2 (#43)

Basic Information

Formula
Dy4Co2Ag
Alex-ID
agm003459263
Elements
3
Sites
14
Space group
Fdd2 (#43)
Crystal system
orthorhombic
Volume
319.78
ų
Cell a
7.7745
Å
Cell b
7.7792
Å
Cell c
7.1739
Å
α angle
108.61
°
β angle
108.59
°
γ angle
114.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Co2Ag
Dy
8.00 · 57.1%
Co
4.00 · 28.6%
Ag
2.00 · 14.3%

Energy & Stability

Energy above hull
0.1032
eV/atom
Formation energy
-0.1270
eV/atom
Corrected total energy
-72.8051
eV
Raw total energy
-72.8051
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0014
eV
DOS at Fermi level
8.9103
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C4_907_spg5

Decomposition

Dy4CoAg DyCo DyAg

Computed at

2022-02-16 16:15:47.825206

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: agm003459263).

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 agm003459263
data_agm003459263
_cell_length_a     7.77453
_cell_length_b     7.77917
_cell_length_c     7.17386
_cell_angle_alpha  108.61098
_cell_angle_beta   108.59221
_cell_angle_gamma  114.31020
_cell_volume       319.78379
_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 0.95744 0.24289 0.36442 1.00000
  Dy2 Dy 0.41386 0.50576 0.27118 1.00000
  Dy3 Dy 0.87817 0.59301 0.63575 1.00000
  Dy4 Dy 0.75550 0.16400 0.77122 1.00000
  Dy5 Dy 0.39266 0.98355 0.22849 1.00000
  Dy6 Dy 0.23425 0.14283 0.72878 1.00000
  Dy7 Dy 0.49308 0.70722 0.86422 1.00000
  Dy8 Dy 0.84293 0.62805 0.13567 1.00000
  Co1 Co 0.51597 0.36456 0.62504 1.00000
  Co2 Co 0.73907 0.89075 0.37386 1.00000
  Co3 Co 0.61472 0.26702 0.12667 1.00000
  Co4 Co 0.14067 0.48867 0.87361 1.00000
  Ag1 Ag 0.26064 0.76086 0.50063 1.00000
  Ag2 Ag 0.01105 0.01083 0.00044 1.00000
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