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Dy5Sb4Te

Alexandria ALEX

Alex-ID: agm060190141 · Space group: C2/m (#12)

Basic Information

Formula
Dy5Sb4Te
Alex-ID
agm060190141
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
297.24
ų
Cell a
7.5936
Å
Cell b
7.5936
Å
Cell c
10.7268
Å
α angle
61.86
°
β angle
61.86
°
γ angle
33.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Sb4Te
Dy
5.00 · 50.0%
Sb
4.00 · 40.0%
Te
1.00 · 10.0%

Energy & Stability

Energy above hull
0.0037
eV/atom
Formation energy
-1.1989
eV/atom
Corrected total energy
-54.6392
eV
Raw total energy
-54.6392
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.7665
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C5_62_spg12

Decomposition

Dy4Sb3Te Dy6Sb5Te

Computed at

2024-11-08 20:39:18.433127

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: agm060190141).

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 agm060190141
data_agm060190141
_cell_length_a     7.59362
_cell_length_b     7.59362
_cell_length_c     10.72680
_cell_angle_alpha  61.86060
_cell_angle_beta   61.86060
_cell_angle_gamma  33.51583
_cell_volume       297.23792
_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 0.20227 0.20227 0.69437 1.00000
  Dy2 Dy 0.79773 0.79773 0.30563 1.00000
  Dy3 Dy 0.39617 0.39617 0.89666 1.00000
  Dy4 Dy 0.00000 0.00000 0.50000 1.00000
  Dy5 Dy 0.60383 0.60383 0.10334 1.00000
  Sb1 Sb 0.59824 0.59824 0.60273 1.00000
  Sb2 Sb 0.20173 0.20173 0.20041 1.00000
  Sb3 Sb 0.79827 0.79827 0.79959 1.00000
  Sb4 Sb 0.40176 0.40176 0.39727 1.00000
  Te1 Te 0.00000 0.00000 0.00000 1.00000
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