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Dy6InGa3Co5

Alexandria ALEX

Alex-ID: agm010647600 · Space group: P-6m2 (#187)

Basic Information

Formula
Dy6InGa3Co5
Alex-ID
agm010647600
Elements
4
Sites
15
Space group
P-6m2 (#187)
Crystal system
hexagonal
Volume
297.94
ų
Cell a
9.2659
Å
Cell b
9.2659
Å
Cell c
4.0070
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6InGa3Co5
Dy
6.00 · 40.0%
In
1.00 · 6.7%
Ga
3.00 · 20.0%
Co
5.00 · 33.3%

Energy & Stability

Energy above hull
0.0161
eV/atom
Formation energy
-0.4188
eV/atom
Corrected total energy
-81.3807
eV
Raw total energy
-81.3807
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.3752
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB3C5D6_5_spg187

Decomposition

DyGa Dy11In9Co4 DyGaCo Dy2GaCo2

Computed at

2025-02-04 11:32:16

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: agm010647600).

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 agm010647600
data_agm010647600
_cell_length_a     9.26590
_cell_length_b     9.26590
_cell_length_c     4.00704
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       297.94018
_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 0.34221 0.17111 0.00000 1.00000
  Dy2 Dy 0.82889 0.17111 0.00000 1.00000
  Dy3 Dy 0.82889 0.65779 0.00000 1.00000
  Dy4 Dy 0.08282 0.54141 0.50000 1.00000
  Dy5 Dy 0.45859 0.54141 0.50000 1.00000
  Dy6 Dy 0.45859 0.91718 0.50000 1.00000
  In1 In 0.66667 0.33333 0.50000 1.00000
  Ga1 Ga 0.79577 0.89788 0.50000 1.00000
  Ga2 Ga 0.10212 0.89788 0.50000 1.00000
  Ga3 Ga 0.10212 0.20423 0.50000 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
  Co2 Co 0.62489 0.81245 0.00000 1.00000
  Co3 Co 0.18755 0.81245 0.00000 1.00000
  Co4 Co 0.18755 0.37511 0.00000 1.00000
  Co5 Co 0.33333 0.66667 0.00000 1.00000
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