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Dy2Zn2Pb

Alexandria ALEX

Alex-ID: agm003404283 · Space group: Immm (#71)

Basic Information

Formula
Dy2Zn2Pb
Alex-ID
agm003404283
Elements
3
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
118.51
ų
Cell a
4.3025
Å
Cell b
5.8687
Å
Cell c
5.8687
Å
α angle
62.25
°
β angle
68.50
°
γ angle
68.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Zn2Pb
Dy
2.00 · 40.0%
Zn
2.00 · 40.0%
Pb
1.00 · 20.0%

Energy & Stability

Energy above hull
0.1379
eV/atom
Formation energy
-0.3016
eV/atom
Corrected total energy
-16.9804
eV
Raw total energy
-16.9804
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0048
eV
DOS at Fermi level
5.0822
Total magnetisation
0.4449
μB

Additional Information

Prototype ID

AB2C2_2031_spg12

Decomposition

Dy5Pb4 DyZn3 DyZn2

Computed at

2022-02-12 02:56:32.088391

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: agm003404283).

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 agm003404283
data_agm003404283
_cell_length_a     4.30249
_cell_length_b     5.86869
_cell_length_c     5.86869
_cell_angle_alpha  62.24995
_cell_angle_beta   68.49618
_cell_angle_gamma  68.49618
_cell_volume       118.50994
_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 0.78517 0.71483 0.71483 1.00000
  Dy2 Dy 0.21483 0.28517 0.28517 1.00000
  Zn1 Zn 0.50000 0.30018 0.69982 1.00000
  Zn2 Zn 0.50000 0.69982 0.30018 1.00000
  Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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