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Dy4SbTe4

Alexandria ALEX

Alex-ID: agm014581271 · Space group: C2/m (#12)

Basic Information

Formula
Dy4SbTe4
Alex-ID
agm014581271
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
291.32
ų
Cell a
7.5597
Å
Cell b
7.5597
Å
Cell c
10.6782
Å
α angle
61.45
°
β angle
61.45
°
γ angle
33.43
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4SbTe4
Dy
4.00 · 44.4%
Sb
1.00 · 11.1%
Te
4.00 · 44.4%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-1.3595
eV/atom
Corrected total energy
-47.3400
eV
Raw total energy
-47.3400
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.0588
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C4_31_spg12

Decomposition

Dy4SbTe4

Computed at

2024-11-01 04:44:09.726936

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: agm014581271).

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 agm014581271
data_agm014581271
_cell_length_a     7.55969
_cell_length_b     7.55969
_cell_length_c     10.67823
_cell_angle_alpha  61.44718
_cell_angle_beta   61.44718
_cell_angle_gamma  33.42750
_cell_volume       291.32006
_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 0.30159 0.30159 0.80386 1.00000
  Dy2 Dy 0.69841 0.69841 0.19614 1.00000
  Dy3 Dy 0.90190 0.90190 0.40128 1.00000
  Dy4 Dy 0.09810 0.09810 0.59872 1.00000
  Sb1 Sb 0.50000 0.50000 0.50000 1.00000
  Te1 Te 0.69609 0.69609 0.70536 1.00000
  Te2 Te 0.90130 0.90130 0.90212 1.00000
  Te3 Te 0.30391 0.30391 0.29464 1.00000
  Te4 Te 0.09870 0.09870 0.09788 1.00000
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