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Dy5GeTe5

Alexandria ALEX

Alex-ID: agm003672491 · Space group: C2/m (#12)

Basic Information

Formula
Dy5GeTe5
Alex-ID
agm003672491
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
340.90
ų
Cell a
6.1082
Å
Cell b
7.4943
Å
Cell c
8.6068
Å
α angle
106.98
°
β angle
90.00
°
γ angle
114.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5GeTe5
Dy
5.00 · 45.5%
Ge
1.00 · 9.1%
Te
5.00 · 45.5%

Energy & Stability

Energy above hull
0.0014
eV/atom
Formation energy
-1.3367
eV/atom
Corrected total energy
-58.0479
eV
Raw total energy
-58.0479
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.5052
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5C5_17_spg5

Decomposition

Dy3GeTe2 Dy2Te3

Computed at

2022-04-09 12:40:21.708649

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: agm003672491).

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 agm003672491
data_agm003672491
_cell_length_a     6.10819
_cell_length_b     7.49427
_cell_length_c     8.60683
_cell_angle_alpha  106.97889
_cell_angle_beta   90.00000
_cell_angle_gamma  114.04939
_cell_volume       340.89767
_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 0.84320 0.68641 0.15991 1.00000
  Dy2 Dy 0.84389 0.68778 0.68221 1.00000
  Dy3 Dy 0.50000 0.00000 0.00000 1.00000
  Dy4 Dy 0.15611 0.31222 0.31779 1.00000
  Dy5 Dy 0.15680 0.31359 0.84009 1.00000
  Ge1 Ge 0.00000 0.00000 0.00000 1.00000
  Te1 Te 0.67121 0.34242 0.33629 1.00000
  Te2 Te 0.66414 0.32827 0.82547 1.00000
  Te3 Te 0.00000 0.00000 0.50000 1.00000
  Te4 Te 0.33586 0.67173 0.17453 1.00000
  Te5 Te 0.32879 0.65758 0.66371 1.00000
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