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Dy4FeAg

Alexandria ALEX

Alex-ID: agm005806978 · Space group: C2/c (#15)

Basic Information

Formula
Dy4FeAg
Alex-ID
agm005806978
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
305.58
ų
Cell a
6.0826
Å
Cell b
7.4766
Å
Cell c
7.4766
Å
α angle
111.08
°
β angle
98.75
°
γ angle
98.75
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4FeAg
Dy
8.00 · 66.7%
Fe
2.00 · 16.7%
Ag
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0146
eV/atom
Formation energy
-0.1121
eV/atom
Corrected total energy
-60.8034
eV
Raw total energy
-60.8034
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0418
eV
DOS at Fermi level
12.5432
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1160_spg15

Decomposition

DyFe2 Dy DyAg

Computed at

2023-07-28 05:36:37.460249

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: agm005806978).

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 agm005806978
data_agm005806978
_cell_length_a     6.08261
_cell_length_b     7.47658
_cell_length_c     7.47658
_cell_angle_alpha  111.07847
_cell_angle_beta   98.75197
_cell_angle_gamma  98.75196
_cell_volume       305.57673
_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 0.90605 0.63049 0.79137 1.00000
  Dy2 Dy 0.03820 0.93736 0.26848 1.00000
  Dy3 Dy 0.59395 0.20863 0.36951 1.00000
  Dy4 Dy 0.46180 0.73152 0.06264 1.00000
  Dy5 Dy 0.53820 0.26848 0.93736 1.00000
  Dy6 Dy 0.40605 0.79137 0.63049 1.00000
  Dy7 Dy 0.96180 0.06264 0.73152 1.00000
  Dy8 Dy 0.09395 0.36951 0.20863 1.00000
  Fe1 Fe 0.25000 0.99835 0.00166 1.00000
  Fe2 Fe 0.75000 0.00165 0.99834 1.00000
  Ag1 Ag 0.75000 0.62850 0.37150 1.00000
  Ag2 Ag 0.25000 0.37150 0.62850 1.00000
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