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Dy12Al5Cd2

Alexandria ALEX

Alex-ID: agm003369596 · Space group: C2/m (#12)

Basic Information

Formula
Dy12Al5Cd2
Alex-ID
agm003369596
Elements
3
Sites
19
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
507.15
ų
Cell a
10.4693
Å
Cell b
8.1099
Å
Cell c
8.1985
Å
α angle
76.74
°
β angle
90.00
°
γ angle
130.20
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy12Al5Cd2
Dy
12.00 · 63.2%
Al
5.00 · 26.3%
Cd
2.00 · 10.5%

Energy & Stability

Energy above hull
0.0912
eV/atom
Formation energy
-0.2033
eV/atom
Corrected total energy
-79.6816
eV
Raw total energy
-79.6816
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
19.9799
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5C12_36_spg12

Decomposition

Dy3Cd2 DyAl Dy2Al

Computed at

2022-02-06 14:04:46.910962

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: agm003369596).

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 agm003369596
data_agm003369596
_cell_length_a     10.46934
_cell_length_b     8.10993
_cell_length_c     8.19847
_cell_angle_alpha  76.74490
_cell_angle_beta   90.00000
_cell_angle_gamma  130.20049
_cell_volume       507.14973
_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 0.89926 0.79853 0.17460 1.00000
  Dy2 Dy 0.98692 0.65522 0.82650 1.00000
  Dy3 Dy 0.66830 0.65522 0.82650 1.00000
  Dy4 Dy 0.16269 0.78272 0.40705 1.00000
  Dy5 Dy 0.62004 0.78272 0.40705 1.00000
  Dy6 Dy 0.38689 0.77379 0.73697 1.00000
  Dy7 Dy 0.61311 0.22621 0.26303 1.00000
  Dy8 Dy 0.83731 0.21728 0.59295 1.00000
  Dy9 Dy 0.37996 0.21728 0.59295 1.00000
  Dy10 Dy 0.01308 0.34478 0.17350 1.00000
  Dy11 Dy 0.33170 0.34478 0.17350 1.00000
  Dy12 Dy 0.10074 0.20147 0.82540 1.00000
  Al1 Al 0.23229 0.46459 0.45615 1.00000
  Al2 Al 0.39046 0.78092 0.14279 1.00000
  Al3 Al 0.00000 0.00000 0.50000 1.00000
  Al4 Al 0.60954 0.21908 0.85721 1.00000
  Al5 Al 0.76771 0.53541 0.54385 1.00000
  Cd1 Cd 0.72032 1.00000 1.00000 1.00000
  Cd2 Cd 0.27968 0.00000 0.00000 1.00000
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