Navigation

HEAS Data Platform · Materials Science Database

Dy8ScCu4

Alexandria ALEX

Alex-ID: agm097596977 · Space group: Pm (#6)

Basic Information

Formula
Dy8ScCu4
Alex-ID
agm097596977
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
326.88
ų
Cell a
3.6665
Å
Cell b
11.1504
Å
Cell c
9.4255
Å
α angle
58.02
°
β angle
89.99
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8ScCu4
Dy
8.00 · 61.5%
Sc
1.00 · 7.7%
Cu
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0660
eV/atom
Formation energy
-0.0805
eV/atom
Corrected total energy
-60.8483
eV
Raw total energy
-60.8483
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.4122
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB4C8_787_spg8

Decomposition

Sc2Cu Dy DyCu

Computed at

2025-06-18 14:50:13

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: agm097596977).

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 agm097596977
data_agm097596977
_cell_length_a     3.66655
_cell_length_b     11.15039
_cell_length_c     9.42552
_cell_angle_alpha  58.02496
_cell_angle_beta   89.99153
_cell_angle_gamma  89.99110
_cell_volume       326.88230
_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 0.53877 0.96464 0.42715 1.00000
  Dy2 Dy 0.03897 0.60036 0.12927 1.00000
  Dy3 Dy 0.03909 0.66912 0.71006 1.00000
  Dy4 Dy 0.53807 0.32006 0.48056 1.00000
  Dy5 Dy 0.53896 0.70755 0.35467 1.00000
  Dy6 Dy 0.03886 0.26198 0.20568 1.00000
  Dy7 Dy 0.53823 0.32848 0.84987 1.00000
  Dy8 Dy 0.53844 0.92187 0.85170 1.00000
  Sc1 Sc 0.03897 0.00983 0.09822 1.00000
  Cu1 Cu 0.03736 0.17450 0.75957 1.00000
  Cu2 Cu 0.53898 0.50099 0.99490 1.00000
  Cu3 Cu 0.03769 0.47257 0.56268 1.00000
  Cu4 Cu 0.03760 0.06804 0.57568 1.00000
Get direct link