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Dy5GaTe4

Alexandria ALEX

Alex-ID: agm003660147 · Space group: I4/m (#87)

Basic Information

Formula
Dy5GaTe4
Alex-ID
agm003660147
Elements
3
Sites
10
Space group
I4/m (#87)
Crystal system
tetragonal
Volume
288.01
ų
Cell a
6.1096
Å
Cell b
7.5148
Å
Cell c
7.5148
Å
α angle
80.49
°
β angle
66.01
°
γ angle
66.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5GaTe4
Dy
5.00 · 50.0%
Ga
1.00 · 10.0%
Te
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0068
eV/atom
Formation energy
-1.2072
eV/atom
Corrected total energy
-50.6865
eV
Raw total energy
-50.6865
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.5548
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C5_149_spg79

Decomposition

Dy4GaTe3 Dy6GaTe5

Computed at

2022-04-06 13:09:10.790895

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: agm003660147).

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 agm003660147
data_agm003660147
_cell_length_a     6.10955
_cell_length_b     7.51481
_cell_length_c     7.51481
_cell_angle_alpha  80.48864
_cell_angle_beta   66.01477
_cell_angle_gamma  66.01477
_cell_volume       288.00824
_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 0.90483 0.37350 0.81872 1.00000
  Dy2 Dy 0.27833 0.81872 0.62650 1.00000
  Dy3 Dy 0.72355 0.18128 0.37350 1.00000
  Dy4 Dy 0.09705 0.62650 0.18128 1.00000
  Dy5 Dy 0.50145 1.00000 1.00000 1.00000
  Ga1 Ga 0.00134 0.00000 0.00000 1.00000
  Te1 Te 0.40887 0.39725 0.78687 1.00000
  Te2 Te 0.80613 0.78687 0.60275 1.00000
  Te3 Te 0.19575 0.21313 0.39725 1.00000
  Te4 Te 0.59300 0.60275 0.21313 1.00000
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