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Dy6YCo2

Alexandria ALEX

Alex-ID: agm005698059 · Space group: Immm (#71)

Basic Information

Formula
Dy6YCo2
Alex-ID
agm005698059
Elements
3
Sites
18
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
474.67
ų
Cell a
8.5177
Å
Cell b
8.5177
Å
Cell c
8.5177
Å
α angle
107.86
°
β angle
108.03
°
γ angle
112.56
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6YCo2
Dy
12.00 · 66.7%
Y
2.00 · 11.1%
Co
4.00 · 22.2%

Energy & Stability

Energy above hull
0.0800
eV/atom
Formation energy
-0.0594
eV/atom
Corrected total energy
-97.7358
eV
Raw total energy
-97.7358
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0207
eV
DOS at Fermi level
19.9601
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_1783_spg71

Decomposition

DyY15 Y3Co Dy3Co

Computed at

2023-07-06 21:54:50.356439

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: agm005698059).

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 agm005698059
data_agm005698059
_cell_length_a     8.51771
_cell_length_b     8.51772
_cell_length_c     8.51771
_cell_angle_alpha  107.86284
_cell_angle_beta   108.03366
_cell_angle_gamma  112.56212
_cell_volume       474.67032
_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 0.47374 0.28852 0.18522 1.00000
  Dy2 Dy 0.52626 0.71148 0.81478 1.00000
  Dy3 Dy 0.89669 0.71148 0.18522 1.00000
  Dy4 Dy 0.10331 0.28852 0.81478 1.00000
  Dy5 Dy 0.21486 0.75837 0.97323 1.00000
  Dy6 Dy 0.78514 0.24163 0.02677 1.00000
  Dy7 Dy 0.78514 0.75837 0.54351 1.00000
  Dy8 Dy 0.21486 0.24163 0.45649 1.00000
  Dy9 Dy 0.31695 0.99831 0.68137 1.00000
  Dy10 Dy 0.68305 0.00169 0.31863 1.00000
  Dy11 Dy 0.68305 0.36442 0.68137 1.00000
  Dy12 Dy 0.31695 0.63558 0.31863 1.00000
  Y1 Y 0.00000 0.50000 0.50000 1.00000
  Y2 Y 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.50000 0.38605 0.88605 1.00000
  Co2 Co 0.50000 0.61395 0.11395 1.00000
  Co3 Co 0.29757 0.00000 0.29757 1.00000
  Co4 Co 0.70243 1.00000 0.70243 1.00000
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