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Dy6Ga3Co4RuPb

Alexandria ALEX

Alex-ID: agm010633430 · Space group: P-6m2 (#187)

Basic Information

Formula
Dy6Ga3Co4RuPb
Alex-ID
agm010633430
Elements
5
Sites
15
Space group
P-6m2 (#187)
Crystal system
hexagonal
Volume
305.29
ų
Cell a
9.3305
Å
Cell b
9.3305
Å
Cell c
4.0492
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6Ga3Co4RuPb
Dy
6.00 · 40.0%
Ga
3.00 · 20.0%
Co
4.00 · 26.7%
Ru
1.00 · 6.7%
Pb
1.00 · 6.7%

Energy & Stability

Energy above hull
0.0012
eV/atom
Formation energy
-0.4591
eV/atom
Corrected total energy
-85.0769
eV
Raw total energy
-85.0769
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.8315
Total magnetisation
0.0108
μB

Additional Information

Prototype ID

ABC3D4E6_5_spg187

Decomposition

Dy2GaCo2 Dy5Pb3 DyGaRu DyCo3 DyGaCo

Computed at

2025-02-01 23:24:31

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: agm010633430).

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 agm010633430
data_agm010633430
_cell_length_a     9.33052
_cell_length_b     9.33052
_cell_length_c     4.04923
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       305.29149
_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 0.67338 0.83669 0.00000 1.00000
  Dy2 Dy 0.16331 0.83669 0.00000 1.00000
  Dy3 Dy 0.16331 0.32662 0.00000 1.00000
  Dy4 Dy 0.41308 0.20654 0.50000 1.00000
  Dy5 Dy 0.79346 0.20654 0.50000 1.00000
  Dy6 Dy 0.79346 0.58692 0.50000 1.00000
  Ga1 Ga 0.13061 0.56530 0.50000 1.00000
  Ga2 Ga 0.43470 0.56530 0.50000 1.00000
  Ga3 Ga 0.43470 0.86939 0.50000 1.00000
  Co1 Co 0.33333 0.66667 0.00000 1.00000
  Co2 Co 0.96735 0.48368 0.00000 1.00000
  Co3 Co 0.51632 0.48368 0.00000 1.00000
  Co4 Co 0.51632 0.03265 0.00000 1.00000
  Ru1 Ru 0.66667 0.33333 0.00000 1.00000
  Pb1 Pb 0.00000 0.00000 0.50000 1.00000
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