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Dy2CdCoAu

Alexandria ALEX

Alex-ID: agm045551010 · Space group: P2_1/m (#11)

Basic Information

Formula
Dy2CdCoAu
Alex-ID
agm045551010
Elements
4
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
219.88
ų
Cell a
3.9913
Å
Cell b
7.5956
Å
Cell c
8.0001
Å
α angle
65.04
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2CdCoAu
Dy
4.00 · 40.0%
Cd
2.00 · 20.0%
Co
2.00 · 20.0%
Au
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0147
eV/atom
Formation energy
-0.5004
eV/atom
Corrected total energy
-46.0687
eV
Raw total energy
-46.0687
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0043
eV
DOS at Fermi level
7.7685
Total magnetisation
0.4230
μB

Additional Information

Prototype ID

ABCD2_2181_spg12

Decomposition

DyCdCo DyAu

Computed at

2024-11-14 13:11:07.357179

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: agm045551010).

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 agm045551010
data_agm045551010
_cell_length_a     3.99134
_cell_length_b     7.59564
_cell_length_c     8.00006
_cell_angle_alpha  65.03761
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       219.87938
_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 0.75000 0.85472 0.39261 1.00000
  Dy2 Dy 0.75000 0.46849 0.21422 1.00000
  Dy3 Dy 0.25000 0.14528 0.60739 1.00000
  Dy4 Dy 0.25000 0.53151 0.78578 1.00000
  Cd1 Cd 0.25000 0.83472 0.07080 1.00000
  Cd2 Cd 0.75000 0.16528 0.92920 1.00000
  Co1 Co 0.25000 0.56492 0.42925 1.00000
  Co2 Co 0.75000 0.43508 0.57075 1.00000
  Au1 Au 0.25000 0.18068 0.20216 1.00000
  Au2 Au 0.75000 0.81932 0.79784 1.00000
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