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DyUGa4Co3

Alexandria ALEX

Alex-ID: agm085777075 · Space group: P6/mmm (#191)

Alexandria Database API

Basic Information

Formula
DyUGa4Co3
Alex-ID
agm085777075
Elements
4
Sites
9
Space group
P6/mmm (#191)
Crystal system
hexagonal
Volume
149.89
ų
Cell a
5.0917
Å
Cell b
5.0917
Å
Cell c
6.6758
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyUGa4Co3
Dy
1.00 · 11.1%
U
1.00 · 11.1%
Ga
4.00 · 44.4%
Co
3.00 · 33.3%

Energy & Stability

Energy above hull
0.1721
eV/atom
Formation energy
-0.2532
eV/atom
Corrected total energy
-51.6595
eV
Raw total energy
-51.6595
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.9994
Total magnetisation
-1.5977
μB

Additional Information

Prototype ID

ABC3D4_266_spg8

Decomposition

Dy3Ga5Co Dy2(Ga3Co)3 UCo3 UCo

Computed at

2025-02-23 00:06:18

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: agm085777075).

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 agm085777075
data_agm085777075
_cell_length_a     5.09174
_cell_length_b     5.09174
_cell_length_c     6.67578
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       149.88768
_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
  U1 U 0.00000 0.00000 0.50000 1.00000
  Ga1 Ga 0.33333 0.66667 0.79838 1.00000
  Ga2 Ga 0.66667 0.33333 0.20162 1.00000
  Ga3 Ga 0.66667 0.33333 0.79838 1.00000
  Ga4 Ga 0.33333 0.66667 0.20162 1.00000
  Co1 Co 0.00000 0.50000 0.50000 1.00000
  Co2 Co 0.50000 0.00000 0.50000 1.00000
  Co3 Co 0.50000 0.50000 0.50000 1.00000
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