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Dy5ErCd6

Alexandria ALEX

Alex-ID: agm006088093 · Space group: Cmmm (#65)

Basic Information

Formula
Dy5ErCd6
Alex-ID
agm006088093
Elements
3
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
313.44
ų
Cell a
5.2756
Å
Cell b
7.4937
Å
Cell c
8.3556
Å
α angle
90.00
°
β angle
71.60
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5ErCd6
Cd
6.00 · 50.0%
Er
1.00 · 8.3%
Dy
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.3136
eV/atom
Corrected total energy
-36.8863
eV
Raw total energy
-36.8863
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.3730
Total magnetisation
-0.0008
μB

Additional Information

Prototype ID

AB5C6_47_spg65

Decomposition

Dy5ErCd6

Computed at

2023-08-21 18:23:44.810173

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: agm006088093).

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 agm006088093
data_agm006088093
_cell_length_a     5.27559
_cell_length_b     7.49372
_cell_length_c     8.35565
_cell_angle_alpha  89.99992
_cell_angle_beta   71.59754
_cell_angle_gamma  89.99974
_cell_volume       313.43789
_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
  Cd1 Cd 0.83385 0.75115 0.33240 1.00000
  Cd2 Cd 0.83375 0.24885 0.33240 1.00000
  Cd3 Cd 0.50008 0.24897 0.00000 1.00000
  Cd4 Cd 0.49992 0.75103 1.00000 1.00000
  Cd5 Cd 0.16625 0.75115 0.66760 1.00000
  Cd6 Cd 0.16615 0.24885 0.66760 1.00000
  Er1 Er 0.00000 0.00000 0.00000 1.00000
  Dy1 Dy 0.66717 0.50000 0.66565 1.00000
  Dy2 Dy 0.33381 1.00000 0.33238 1.00000
  Dy3 Dy 0.00000 0.50000 0.00000 1.00000
  Dy4 Dy 0.66619 0.00000 0.66762 1.00000
  Dy5 Dy 0.33283 0.50000 0.33435 1.00000
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