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Dy5Ni2Pb5

Alexandria ALEX

Alex-ID: agm005651965 · Space group: C2/m (#12)

Basic Information

Formula
Dy5Ni2Pb5
Alex-ID
agm005651965
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
304.47
ų
Cell a
4.5253
Å
Cell b
8.5884
Å
Cell c
8.5258
Å
α angle
77.65
°
β angle
74.61
°
γ angle
74.72
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Ni2Pb5
Dy
5.00 · 41.7%
Ni
2.00 · 16.7%
Pb
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0533
eV/atom
Formation energy
-0.4193
eV/atom
Corrected total energy
-58.1594
eV
Raw total energy
-58.1594
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.9982
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5C5_18_spg12

Decomposition

DyPb2 Dy2Ni2Pb DyPb

Computed at

2023-06-19 06:47:49.503826

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: agm005651965).

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 agm005651965
data_agm005651965
_cell_length_a     4.52534
_cell_length_b     8.58843
_cell_length_c     8.52577
_cell_angle_alpha  77.64865
_cell_angle_beta   74.60974
_cell_angle_gamma  74.72478
_cell_volume       304.47433
_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 0.50000 0.50000 0.50000 1.00000
  Dy2 Dy 0.36796 0.33741 0.92667 1.00000
  Dy3 Dy 0.32487 0.02669 0.32357 1.00000
  Dy4 Dy 0.67513 0.97331 0.67643 1.00000
  Dy5 Dy 0.63204 0.66259 0.07333 1.00000
  Ni1 Ni 0.85407 0.54612 0.74575 1.00000
  Ni2 Ni 0.14593 0.45388 0.25425 1.00000
  Pb1 Pb 0.94515 0.75055 0.35914 1.00000
  Pb2 Pb 0.25449 0.71564 0.77538 1.00000
  Pb3 Pb 0.74551 0.28436 0.22462 1.00000
  Pb4 Pb 0.05485 0.24945 0.64086 1.00000
  Pb5 Pb 0.00000 0.00000 0.00000 1.00000
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