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Dy(GaCo)2

Alexandria ALEX

Alex-ID: agm002333249 · Space group: P4/nmm (#129)

Basic Information

Formula
Dy(GaCo)2
Alex-ID
agm002333249
Elements
3
Sites
10
Space group
P4/nmm (#129)
Crystal system
tetragonal
Volume
161.47
ų
Cell a
4.0770
Å
Cell b
4.0770
Å
Cell c
9.7139
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy(GaCo)2
Co
4.00 · 40.0%
Ga
4.00 · 40.0%
Dy
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0403
eV/atom
Formation energy
-0.3947
eV/atom
Corrected total energy
-53.7668
eV
Raw total energy
-53.7668
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.9703
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C2_8_spg129

Decomposition

Dy2Ga5Co3 Dy3Ga5Co6 DyGa2Co3

Computed at

2019-02-10 23:51:52

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: agm002333249).

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 agm002333249
data_agm002333249
_cell_length_a     4.07704
_cell_length_b     4.07704
_cell_length_c     9.71385
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       161.46652
_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
  Co1 Co 0.25000 0.25000 0.63245 1.00000
  Co2 Co 0.25000 0.75000 0.00000 1.00000
  Co3 Co 0.75000 0.25000 0.00000 1.00000
  Co4 Co 0.75000 0.75000 0.36755 1.00000
  Ga1 Ga 0.75000 0.75000 0.12431 1.00000
  Ga2 Ga 0.75000 0.25000 0.50000 1.00000
  Ga3 Ga 0.25000 0.25000 0.87569 1.00000
  Ga4 Ga 0.25000 0.75000 0.50000 1.00000
  Dy1 Dy 0.75000 0.75000 0.76147 1.00000
  Dy2 Dy 0.25000 0.25000 0.23853 1.00000
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