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Dy5Er

Alexandria ALEX

Alex-ID: agm010170525 · Space group: C2/m (#12)

Basic Information

Formula
Dy5Er
Alex-ID
agm010170525
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
186.22
ų
Cell a
6.1071
Å
Cell b
6.1071
Å
Cell c
9.9640
Å
α angle
65.94
°
β angle
65.94
°
γ angle
33.63
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Er
Dy
5.00 · 83.3%
Er
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0204
eV/atom
Formation energy
0.0182
eV/atom
Corrected total energy
-27.4722
eV
Raw total energy
-27.4722
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0129
eV
DOS at Fermi level
7.5292
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5_757_spg44

Decomposition

Dy7Er2 Dy

Computed at

2024-05-03 19:26:32.329084

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: agm010170525).

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 agm010170525
data_agm010170525
_cell_length_a     6.10711
_cell_length_b     6.10711
_cell_length_c     9.96404
_cell_angle_alpha  65.94076
_cell_angle_beta   65.94076
_cell_angle_gamma  33.63093
_cell_volume       186.22237
_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 0.33335 0.33335 0.83381 1.00000
  Dy2 Dy 0.66651 0.66651 0.66721 1.00000
  Dy3 Dy 0.00000 0.00000 0.50000 1.00000
  Dy4 Dy 0.33349 0.33349 0.33279 1.00000
  Dy5 Dy 0.66665 0.66665 0.16619 1.00000
  Er1 Er 0.00000 0.00000 0.00000 1.00000
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