Navigation

HEAS Data Platform · Materials Science Database

Dy8Sb2Te3

Alexandria ALEX

Alex-ID: agm003355441 · Space group: C2/m (#12)

Basic Information

Formula
Dy8Sb2Te3
Alex-ID
agm003355441
Elements
3
Sites
13
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
424.63
ų
Cell a
6.7017
Å
Cell b
9.0365
Å
Cell c
8.3449
Å
α angle
122.78
°
β angle
88.34
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8Sb2Te3
Dy
8.00 · 61.5%
Sb
2.00 · 15.4%
Te
3.00 · 23.1%

Energy & Stability

Energy above hull
0.1735
eV/atom
Formation energy
-0.8140
eV/atom
Corrected total energy
-65.0813
eV
Raw total energy
-65.0812
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0033
eV
DOS at Fermi level
7.1143
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C8_164_spg12

Decomposition

Dy3Te2 Dy5Sb3 Dy

Computed at

2022-02-03 10:37:03.744784

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: agm003355441).

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 agm003355441
data_agm003355441
_cell_length_a     6.70168
_cell_length_b     9.03651
_cell_length_c     8.34487
_cell_angle_alpha  122.78179
_cell_angle_beta   88.34249
_cell_angle_gamma  90.00000
_cell_volume       424.62768
_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 0.91264 0.64853 0.29706 1.00000
  Dy2 Dy 0.08736 0.35147 0.70294 1.00000
  Dy3 Dy 0.84382 0.13065 0.26130 1.00000
  Dy4 Dy 0.15618 0.86935 0.73870 1.00000
  Dy5 Dy 0.69780 0.64828 0.68396 1.00000
  Dy6 Dy 0.69780 0.03568 0.68396 1.00000
  Dy7 Dy 0.30220 0.96432 0.31604 1.00000
  Dy8 Dy 0.30220 0.35172 0.31604 1.00000
  Sb1 Sb 0.54272 0.30203 0.60406 1.00000
  Sb2 Sb 0.45728 0.69797 0.39594 1.00000
  Te1 Te 0.50000 0.00000 0.00000 1.00000
  Te2 Te 1.00000 0.25796 1.00000 1.00000
  Te3 Te 0.00000 0.74204 0.00000 1.00000
Get direct link