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EuDy3Cu2

Alexandria ALEX

Alex-ID: agm102246773 · Space group: P6/mmm (#191)

Basic Information

Formula
EuDy3Cu2
Alex-ID
agm102246773
Elements
3
Sites
6
Space group
P6/mmm (#191)
Crystal system
hexagonal
Volume
171.88
ų
Cell a
7.1587
Å
Cell b
7.1587
Å
Cell c
3.8723
Å
α angle
90.00
°
β angle
90.00
°
γ angle
119.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuDy3Cu2
Eu
1.00 · 16.7%
Dy
3.00 · 50.0%
Cu
2.00 · 33.3%

Energy & Stability

Energy above hull
0.1492
eV/atom
Formation energy
-0.0062
eV/atom
Corrected total energy
-32.4429
eV
Raw total energy
-32.4428
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
13.6962
Total magnetisation
8.0473
μB

Additional Information

Prototype ID

AB2C3_1_spg191

Decomposition

DyCu Eu Dy

Computed at

2025-05-16 16:48:26

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: agm102246773).

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 agm102246773
data_agm102246773
_cell_length_a     7.15868
_cell_length_b     7.15868
_cell_length_c     3.87229
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  119.98745
_cell_volume       171.87721
_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
  Eu1 Eu 0.00000 0.00000 0.00000 1.00000
  Dy1 Dy 0.00000 0.50000 0.50000 1.00000
  Dy2 Dy 0.50000 0.50000 0.50000 1.00000
  Dy3 Dy 0.50000 0.00000 0.50000 1.00000
  Cu1 Cu 0.66672 0.33328 0.00000 1.00000
  Cu2 Cu 0.33328 0.66672 0.00000 1.00000
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