Navigation

HEAS Data Platform · Materials Science Database

Dy5Y7

Alexandria ALEX

Alex-ID: agm010135543 · Space group: Cm (#8)

Basic Information

Formula
Dy5Y7
Alex-ID
agm010135543
Elements
2
Sites
12
Space group
Cm (#8)
Crystal system
monoclinic
Volume
382.11
ų
Cell a
9.4207
Å
Cell b
9.4207
Å
Cell c
11.8290
Å
α angle
80.13
°
β angle
80.13
°
γ angle
21.69
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Y7
Dy
5.00 · 41.7%
Y
7.00 · 58.3%

Energy & Stability

Energy above hull
0.0242
eV/atom
Formation energy
0.0206
eV/atom
Corrected total energy
-68.0134
eV
Raw total energy
-68.0134
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0021
eV
DOS at Fermi level
16.1638
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B7_465_spg8

Decomposition

Dy5Y DyY5

Computed at

2024-05-17 08:31:43.592005

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: agm010135543).

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 agm010135543
data_agm010135543
_cell_length_a     9.42068
_cell_length_b     9.42068
_cell_length_c     11.82902
_cell_angle_alpha  80.13059
_cell_angle_beta   80.13059
_cell_angle_gamma  21.69407
_cell_volume       382.10955
_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 0.66670 0.66670 0.00029 1.00000
  Dy2 Dy 0.91674 0.91674 0.75130 1.00000
  Dy3 Dy 0.33264 0.33264 0.00022 1.00000
  Dy4 Dy 0.75040 0.75040 0.24871 1.00000
  Dy5 Dy 0.58327 0.58327 0.74945 1.00000
  Y1 Y 0.00033 0.00033 0.99859 1.00000
  Y2 Y 0.41638 0.41638 0.24959 1.00000
  Y3 Y 0.83344 0.83344 0.50028 1.00000
  Y4 Y 0.24966 0.24966 0.75121 1.00000
  Y5 Y 0.08375 0.08375 0.24965 1.00000
  Y6 Y 0.49961 0.49961 0.50142 1.00000
  Y7 Y 0.16707 0.16707 0.49930 1.00000
Get direct link