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Dy4Ge2Te

Alexandria ALEX

Alex-ID: agm003457516 · Space group: Fd-3m (#227)

Basic Information

Formula
Dy4Ge2Te
Alex-ID
agm003457516
Elements
3
Sites
14
Space group
Fd-3m (#227)
Crystal system
cubic
Volume
463.28
ų
Cell a
8.6862
Å
Cell b
8.6864
Å
Cell c
8.6860
Å
α angle
120.02
°
β angle
120.02
°
γ angle
89.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Ge2Te
Dy
8.00 · 57.1%
Ge
4.00 · 28.6%
Te
2.00 · 14.3%

Energy & Stability

Energy above hull
0.2554
eV/atom
Formation energy
-0.7477
eV/atom
Corrected total energy
-72.0504
eV
Raw total energy
-72.0504
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0004
eV
DOS at Fermi level
7.6950
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_6_spg74

Decomposition

Dy3GeTe2 Dy5Ge3

Computed at

2022-02-28 21:00:24.081335

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: agm003457516).

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 agm003457516
data_agm003457516
_cell_length_a     8.68621
_cell_length_b     8.68645
_cell_length_c     8.68604
_cell_angle_alpha  120.02411
_cell_angle_beta   120.01872
_cell_angle_gamma  89.96277
_cell_volume       463.27551
_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 0.85605 0.14358 0.28755 1.00000
  Dy2 Dy 0.39394 0.60643 0.21247 1.00000
  Dy3 Dy 0.85613 0.56846 0.71245 1.00000
  Dy4 Dy 0.85633 0.14390 0.71235 1.00000
  Dy5 Dy 0.43160 0.14389 0.28764 1.00000
  Dy6 Dy 0.39386 0.18151 0.78752 1.00000
  Dy7 Dy 0.39366 0.60611 0.78763 1.00000
  Dy8 Dy 0.81843 0.60612 0.21237 1.00000
  Ge1 Ge 0.62500 0.37500 0.75000 1.00000
  Ge2 Ge 0.62500 0.87499 0.25000 1.00000
  Ge3 Ge 0.62500 0.37500 0.24999 1.00000
  Ge4 Ge 0.12501 0.37500 0.75000 1.00000
  Te1 Te 0.24989 0.74996 0.50000 1.00000
  Te2 Te 0.00010 0.00004 1.00000 1.00000
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