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Dy6YEr2

Alexandria ALEX

Alex-ID: agm005602852 · Space group: C2/m (#12)

Basic Information

Formula
Dy6YEr2
Alex-ID
agm005602852
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
283.64
ų
Cell a
9.8953
Å
Cell b
9.8953
Å
Cell c
3.5996
Å
α angle
94.28
°
β angle
94.28
°
γ angle
125.35
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6YEr2
Dy
6.00 · 66.7%
Y
1.00 · 11.1%
Er
2.00 · 22.2%

Energy & Stability

Energy above hull
0.1257
eV/atom
Formation energy
0.1223
eV/atom
Corrected total energy
-42.1103
eV
Raw total energy
-42.1103
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.3065
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_733_spg12

Decomposition

Dy5Er4 Dy7Er2 Y5Er

Computed at

2023-07-14 12:39:15.111982

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: agm005602852).

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 agm005602852
data_agm005602852
_cell_length_a     9.89535
_cell_length_b     9.89535
_cell_length_c     3.59960
_cell_angle_alpha  94.28412
_cell_angle_beta   94.28412
_cell_angle_gamma  125.35326
_cell_volume       283.63827
_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 0.83475 0.50062 0.83087 1.00000
  Dy2 Dy 0.16525 0.49938 0.16913 1.00000
  Dy3 Dy 0.33446 0.33446 0.67001 1.00000
  Dy4 Dy 0.50062 0.83475 0.83087 1.00000
  Dy5 Dy 0.49938 0.16525 0.16913 1.00000
  Dy6 Dy 0.66554 0.66554 0.32999 1.00000
  Y1 Y 0.00000 0.00000 0.00000 1.00000
  Er1 Er 0.83243 0.16757 0.50000 1.00000
  Er2 Er 0.16757 0.83243 0.50000 1.00000
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