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Dy3AlCd2Au3

Alexandria ALEX

Alex-ID: agm032176403 · Space group: Amm2 (#38)

Alexandria Database API

Basic Information

Formula
Dy3AlCd2Au3
Alex-ID
agm032176403
Elements
4
Sites
9
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
200.19
ų
Cell a
7.6925
Å
Cell b
3.8435
Å
Cell c
7.7875
Å
α angle
90.00
°
β angle
119.61
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3AlCd2Au3
Dy
3.00 · 33.3%
Al
1.00 · 11.1%
Cd
2.00 · 22.2%
Au
3.00 · 33.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.7076
eV/atom
Corrected total energy
-35.6044
eV
Raw total energy
-35.6044
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.3814
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D3_0_spg189

Decomposition

Dy3AlCd2Au3

Computed at

2025-03-09 10:19:55

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: agm032176403).

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 agm032176403
data_agm032176403
_cell_length_a     7.69249
_cell_length_b     3.84352
_cell_length_c     7.78752
_cell_angle_alpha  90.00000
_cell_angle_beta   119.60531
_cell_angle_gamma  90.00000
_cell_volume       200.18874
_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 0.40289 0.50000 0.99996 1.00000
  Dy2 Dy 0.00630 0.50000 0.40927 1.00000
  Dy3 Dy 0.59709 0.50000 0.59074 1.00000
  Al1 Al 0.73804 0.00000 0.00009 1.00000
  Cd1 Cd 0.00125 0.00000 0.73933 1.00000
  Cd2 Cd 0.26180 0.00000 0.26065 1.00000
  Au1 Au 0.35149 0.00000 0.67941 1.00000
  Au2 Au 0.67198 0.00000 0.32059 1.00000
  Au3 Au 0.96926 0.50000 0.99996 1.00000
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