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Dy6YEr2

Alexandria ALEX

Alex-ID: agm017677907 · Space group: Cm (#8)

Basic Information

Formula
Dy6YEr2
Alex-ID
agm017677907
Elements
3
Sites
9
Space group
Cm (#8)
Crystal system
monoclinic
Volume
282.79
ų
Cell a
3.5705
Å
Cell b
9.4437
Å
Cell c
9.4836
Å
α angle
115.28
°
β angle
89.97
°
γ angle
100.90
°

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
0.0051
eV/atom
Formation energy
0.0017
eV/atom
Corrected total energy
-43.1958
eV
Raw total energy
-43.1958
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.0041
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_297_spg12

Decomposition

Dy5Er4 Dy7Er2 Y5Er

Computed at

2025-03-07 21:53:14

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: agm017677907).

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 agm017677907
data_agm017677907
_cell_length_a     3.57054
_cell_length_b     9.44373
_cell_length_c     9.48363
_cell_angle_alpha  115.27711
_cell_angle_beta   89.97457
_cell_angle_gamma  100.89580
_cell_volume       282.78705
_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 0.14769 0.62839 0.99877 1.00000
  Dy2 Dy 0.48201 0.29717 0.99959 1.00000
  Dy3 Dy 0.00076 0.33420 0.33463 1.00000
  Dy4 Dy 0.85209 0.03777 0.66717 1.00000
  Dy5 Dy 0.33324 0.00002 0.33482 1.00000
  Dy6 Dy 0.18445 0.70277 0.66564 1.00000
  Y1 Y 0.81420 0.96213 0.99931 1.00000
  Er1 Er 0.51861 0.37077 0.66719 1.00000
  Er2 Er 0.66681 0.66665 0.33282 1.00000
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