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Dy8FeCu4

Alexandria ALEX

Alex-ID: agm097634857 · Space group: Pm (#6)

Basic Information

Formula
Dy8FeCu4
Alex-ID
agm097634857
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
310.26
ų
Cell a
4.5992
Å
Cell b
9.8361
Å
Cell c
8.6842
Å
α angle
52.16
°
β angle
89.99
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8FeCu4
Dy
8.00 · 61.5%
Fe
1.00 · 7.7%
Cu
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1143
eV/atom
Formation energy
-0.0385
eV/atom
Corrected total energy
-62.4330
eV
Raw total energy
-62.4330
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0392
eV
DOS at Fermi level
14.9664
Total magnetisation
0.0027
μB

Additional Information

Prototype ID

AB4C8_640_spg1

Decomposition

DyFe2 Dy DyCu

Computed at

2025-06-21 10:17:03

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: agm097634857).

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 agm097634857
data_agm097634857
_cell_length_a     4.59920
_cell_length_b     9.83612
_cell_length_c     8.68421
_cell_angle_alpha  52.16213
_cell_angle_beta   89.98951
_cell_angle_gamma  89.98858
_cell_volume       310.26018
_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 0.69222 0.08458 0.34148 1.00000
  Dy2 Dy 0.69194 0.75451 0.08287 1.00000
  Dy3 Dy 0.69228 0.58110 0.62557 1.00000
  Dy4 Dy 0.69227 0.21292 0.65898 1.00000
  Dy5 Dy 0.19194 0.85152 0.28857 1.00000
  Dy6 Dy 0.19236 0.42234 0.24876 1.00000
  Dy7 Dy 0.19201 0.27120 0.93889 1.00000
  Dy8 Dy 0.19191 0.73761 0.77608 1.00000
  Fe1 Fe 0.69184 0.04306 0.06062 1.00000
  Cu1 Cu 0.19220 0.98936 0.89560 1.00000
  Cu2 Cu 0.69293 0.48289 0.00954 1.00000
  Cu3 Cu 0.19304 0.48498 0.51682 1.00000
  Cu4 Cu 0.19305 0.08400 0.55614 1.00000
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