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Dy4RhPb

Alexandria ALEX

Alex-ID: agm003752133 · Space group: C2/c (#15)

Basic Information

Formula
Dy4RhPb
Alex-ID
agm003752133
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
336.65
ų
Cell a
6.0669
Å
Cell b
8.6114
Å
Cell c
8.0937
Å
α angle
114.97
°
β angle
102.65
°
γ angle
107.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4RhPb
Dy
8.00 · 66.7%
Rh
2.00 · 16.7%
Pb
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0776
eV/atom
Formation energy
-0.5079
eV/atom
Corrected total energy
-65.0444
eV
Raw total energy
-65.0444
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0095
eV
DOS at Fermi level
10.7758
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

ABC4_1160_spg15

Decomposition

Dy7Rh3 Dy5Pb3

Computed at

2022-04-18 22:02:27.779036

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: agm003752133).

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 agm003752133
data_agm003752133
_cell_length_a     6.06685
_cell_length_b     8.61139
_cell_length_c     8.09367
_cell_angle_alpha  114.97423
_cell_angle_beta   102.64895
_cell_angle_gamma  107.03113
_cell_volume       336.64575
_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 0.05238 0.21089 0.85530 1.00000
  Dy2 Dy 0.78653 0.71815 0.65994 1.00000
  Dy3 Dy 0.30292 0.64441 0.85530 1.00000
  Dy4 Dy 0.37341 0.94179 0.65994 1.00000
  Dy5 Dy 0.62659 0.05821 0.34006 1.00000
  Dy6 Dy 0.69708 0.35559 0.14470 1.00000
  Dy7 Dy 0.21347 0.28185 0.34006 1.00000
  Dy8 Dy 0.94762 0.78911 0.14470 1.00000
  Rh1 Rh 0.25023 0.00023 0.00046 1.00000
  Rh2 Rh 0.74977 0.99977 0.99954 1.00000
  Pb1 Pb 0.37826 0.62826 0.25653 1.00000
  Pb2 Pb 0.62174 0.37174 0.74347 1.00000
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