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Dy(CdPb)2

Alexandria ALEX

Alex-ID: agm003395014 · Space group: Cmcm (#63)

Alexandria Database API

Basic Information

Formula
Dy(CdPb)2
Alex-ID
agm003395014
Elements
3
Sites
10
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
258.78
ų
Cell a
4.5624
Å
Cell b
4.6120
Å
Cell c
12.5082
Å
α angle
90.00
°
β angle
100.51
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy(CdPb)2
Dy
2.00 · 20.0%
Cd
4.00 · 40.0%
Pb
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0221
eV/atom
Formation energy
-0.2318
eV/atom
Corrected total energy
-30.0526
eV
Raw total energy
-30.0526
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.1198
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_200_spg63

Decomposition

DyCd2Pb Pb

Computed at

2022-02-09 23:53:25.890230

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: agm003395014).

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 agm003395014
data_agm003395014
_cell_length_a     4.56245
_cell_length_b     4.61203
_cell_length_c     12.50819
_cell_angle_alpha  90.00000
_cell_angle_beta   100.50832
_cell_angle_gamma  90.00000
_cell_volume       258.78473
_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 0.35531 0.25000 0.71062 1.00000
  Dy2 Dy 0.64469 0.75000 0.28938 1.00000
  Cd1 Cd 0.04384 0.75000 0.08767 1.00000
  Cd2 Cd 0.45899 0.75000 0.91797 1.00000
  Cd3 Cd 0.95616 0.25000 0.91233 1.00000
  Cd4 Cd 0.54101 0.25000 0.08203 1.00000
  Pb1 Pb 0.74927 0.25000 0.49854 1.00000
  Pb2 Pb 0.25073 0.75000 0.50146 1.00000
  Pb3 Pb 0.86552 0.75000 0.73103 1.00000
  Pb4 Pb 0.13448 0.25000 0.26897 1.00000
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