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Dy5Pb4

Alexandria ALEX

Alex-ID: agm009453402 · Space group: Cmce (#64)

Basic Information

Formula
Dy5Pb4
Alex-ID
agm009453402
Elements
2
Sites
18
Space group
Cmce (#64)
Crystal system
orthorhombic
Volume
535.87
ų
Cell a
8.8604
Å
Cell b
8.8604
Å
Cell c
8.2656
Å
α angle
90.00
°
β angle
90.00
°
γ angle
124.33
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Pb4
Dy
10.00 · 55.6%
Pb
8.00 · 44.4%

Energy & Stability

Energy above hull
0.0013
eV/atom
Formation energy
-0.5352
eV/atom
Corrected total energy
-85.3377
eV
Raw total energy
-85.3377
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.5807
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B5_478_spg2

Decomposition

Dy5Pb4

Computed at

2024-05-11 05:34:09.049254

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: agm009453402).

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 agm009453402
data_agm009453402
_cell_length_a     8.86039
_cell_length_b     8.86039
_cell_length_c     8.26557
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  124.32928
_cell_volume       535.86826
_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 0.00000 0.00000 0.00000 1.00000
  Dy2 Dy 0.50000 0.50000 0.50000 1.00000
  Dy3 Dy 0.80474 0.53065 0.16517 1.00000
  Dy4 Dy 0.46935 0.19526 0.83483 1.00000
  Dy5 Dy 0.96935 0.69526 0.66517 1.00000
  Dy6 Dy 0.30474 0.03065 0.33483 1.00000
  Dy7 Dy 0.19526 0.46935 0.83483 1.00000
  Dy8 Dy 0.53065 0.80474 0.16517 1.00000
  Dy9 Dy 0.03065 0.30474 0.33483 1.00000
  Dy10 Dy 0.69526 0.96935 0.66517 1.00000
  Pb1 Pb 0.86200 0.86200 0.36124 1.00000
  Pb2 Pb 0.13800 0.13800 0.63876 1.00000
  Pb3 Pb 0.63800 0.63800 0.86124 1.00000
  Pb4 Pb 0.36200 0.36200 0.13876 1.00000
  Pb5 Pb 0.20566 0.79434 0.00000 1.00000
  Pb6 Pb 0.70566 0.29434 0.50000 1.00000
  Pb7 Pb 0.79434 0.20566 0.00000 1.00000
  Pb8 Pb 0.29434 0.70566 0.50000 1.00000
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