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Dy6Cu8Ni

Alexandria ALEX

Alex-ID: agm072665166 · Space group: P-1 (#2)

Basic Information

Formula
Dy6Cu8Ni
Alex-ID
agm072665166
Elements
3
Sites
15
Space group
P-1 (#2)
Crystal system
triclinic
Volume
295.17
ų
Cell a
5.7852
Å
Cell b
7.4873
Å
Cell c
7.5414
Å
α angle
105.95
°
β angle
101.36
°
γ angle
102.38
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6Cu8Ni
Dy
6.00 · 40.0%
Cu
8.00 · 53.3%
Ni
1.00 · 6.7%

Energy & Stability

Energy above hull
0.1145
eV/atom
Formation energy
-0.1494
eV/atom
Corrected total energy
-68.9262
eV
Raw total energy
-68.9262
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0148
eV
DOS at Fermi level
9.2776
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_620_spg2

Decomposition

Dy2CuNi DyCu2 DyCu

Computed at

2024-10-06 22:38:39.361135

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: agm072665166).

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 agm072665166
data_agm072665166
_cell_length_a     5.78515
_cell_length_b     7.48732
_cell_length_c     7.54140
_cell_angle_alpha  105.94799
_cell_angle_beta   101.35828
_cell_angle_gamma  102.38463
_cell_volume       295.17070
_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 0.29179 0.50113 0.65680 1.00000
  Dy2 Dy 0.84076 0.04722 0.31571 1.00000
  Dy3 Dy 0.76835 0.26481 0.84721 1.00000
  Dy4 Dy 0.70821 0.49887 0.34320 1.00000
  Dy5 Dy 0.15924 0.95278 0.68429 1.00000
  Dy6 Dy 0.23165 0.73519 0.15279 1.00000
  Cu1 Cu 0.56560 0.88033 0.89373 1.00000
  Cu2 Cu 0.43440 0.11967 0.10627 1.00000
  Cu3 Cu 0.15227 0.34660 0.23922 1.00000
  Cu4 Cu 0.59443 0.85941 0.55909 1.00000
  Cu5 Cu 0.68637 0.64911 0.03926 1.00000
  Cu6 Cu 0.84773 0.65340 0.76078 1.00000
  Cu7 Cu 0.40557 0.14059 0.44091 1.00000
  Cu8 Cu 0.31363 0.35089 0.96074 1.00000
  Ni1 Ni 0.00000 0.00000 0.00000 1.00000
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