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Dy6GeSb3Te2

Alexandria ALEX

Alex-ID: agm039813680 · Space group: C2/m (#12)

Basic Information

Formula
Dy6GeSb3Te2
Alex-ID
agm039813680
Elements
4
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
348.29
ų
Cell a
9.7050
Å
Cell b
9.7050
Å
Cell c
8.7186
Å
α angle
77.23
°
β angle
102.77
°
γ angle
154.18
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6GeSb3Te2
Dy
6.00 · 50.0%
Ge
1.00 · 8.3%
Sb
3.00 · 25.0%
Te
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0222
eV/atom
Formation energy
-1.1877
eV/atom
Corrected total energy
-65.1422
eV
Raw total energy
-65.1422
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.8313
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D6_28_spg12

Decomposition

Dy6Sb5Te Dy6Ge2SbTe3

Computed at

2025-02-02 02:36:57

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: agm039813680).

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 agm039813680
data_agm039813680
_cell_length_a     9.70500
_cell_length_b     9.70500
_cell_length_c     8.71862
_cell_angle_alpha  77.22801
_cell_angle_beta   102.77199
_cell_angle_gamma  154.18373
_cell_volume       348.29375
_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 0.34244 0.65756 0.42660 1.00000
  Dy2 Dy 0.66287 0.33713 0.09068 1.00000
  Dy3 Dy 0.65756 0.34244 0.57340 1.00000
  Dy4 Dy 0.99684 0.00316 0.73130 1.00000
  Dy5 Dy 0.00316 0.99684 0.26870 1.00000
  Dy6 Dy 0.33713 0.66287 0.90932 1.00000
  Ge1 Ge 0.50000 0.50000 0.50000 1.00000
  Sb1 Sb 0.50000 0.50000 0.00000 1.00000
  Sb2 Sb 0.82850 0.17150 0.66376 1.00000
  Sb3 Sb 0.17150 0.82850 0.33624 1.00000
  Te1 Te 0.83333 0.16667 0.16410 1.00000
  Te2 Te 0.16667 0.83333 0.83590 1.00000
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