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Dy6CoAg2

Alexandria ALEX

Alex-ID: agm003494521 · Space group: P2_1/c (#14)

Basic Information

Formula
Dy6CoAg2
Alex-ID
agm003494521
Elements
3
Sites
18
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
488.32
ų
Cell a
6.6835
Å
Cell b
7.3226
Å
Cell c
9.9884
Å
α angle
90.00
°
β angle
87.37
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6CoAg2
Dy
12.00 · 66.7%
Co
2.00 · 11.1%
Ag
4.00 · 22.2%

Energy & Stability

Energy above hull
0.0818
eV/atom
Formation energy
-0.1427
eV/atom
Corrected total energy
-83.4657
eV
Raw total energy
-83.4657
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
20.3761
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB2C6_186_spg128

Decomposition

Dy4CoAg Dy DyAg

Computed at

2022-02-24 04:28:48.286272

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: agm003494521).

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 agm003494521
data_agm003494521
_cell_length_a     6.68347
_cell_length_b     7.32263
_cell_length_c     9.98840
_cell_angle_alpha  90.00000
_cell_angle_beta   87.37297
_cell_angle_gamma  90.00000
_cell_volume       488.32408
_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 0.88047 0.98601 0.25158 1.00000
  Dy2 Dy 0.81832 0.69010 0.55027 1.00000
  Dy3 Dy 0.83173 0.68486 0.94588 1.00000
  Dy4 Dy 0.66827 0.18486 0.55412 1.00000
  Dy5 Dy 0.68168 0.19010 0.94973 1.00000
  Dy6 Dy 0.61953 0.48601 0.24842 1.00000
  Dy7 Dy 0.11953 0.01399 0.74842 1.00000
  Dy8 Dy 0.18168 0.30990 0.44973 1.00000
  Dy9 Dy 0.16827 0.31514 0.05412 1.00000
  Dy10 Dy 0.33173 0.81514 0.44588 1.00000
  Dy11 Dy 0.31832 0.80990 0.05027 1.00000
  Dy12 Dy 0.38047 0.51399 0.75158 1.00000
  Co1 Co 0.50000 0.50000 0.00000 1.00000
  Co2 Co 0.00000 0.00000 0.50000 1.00000
  Ag1 Ag 0.94758 0.39595 0.74563 1.00000
  Ag2 Ag 0.55242 0.89595 0.75437 1.00000
  Ag3 Ag 0.44758 0.10405 0.24563 1.00000
  Ag4 Ag 0.05242 0.60405 0.25437 1.00000
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