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Dy8GeS7

Alexandria ALEX

Alex-ID: agm045332929 · Space group: Fm-3m (#225)

Alexandria Database API

Basic Information

Formula
Dy8GeS7
Alex-ID
agm045332929
Elements
3
Sites
16
Space group
Fm-3m (#225)
Crystal system
cubic
Volume
346.26
ų
Cell a
7.8820
Å
Cell b
7.8820
Å
Cell c
7.8820
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8GeS7
Dy
8.00 · 50.0%
Ge
1.00 · 6.3%
S
7.00 · 43.8%

Energy & Stability

Energy above hull
0.0056
eV/atom
Formation energy
-2.1697
eV/atom
Corrected total energy
-105.0543
eV
Raw total energy
-100.4101
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.6262
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB7C8_4_spg225

Decomposition

Dy4GeS3 DyS

Computed at

2025-01-19 10:07:18

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: agm045332929).

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 agm045332929
data_agm045332929
_cell_length_a     7.88201
_cell_length_b     7.88201
_cell_length_c     7.88201
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       346.25504
_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 0.25003 0.74997 0.25003 1.00000
  Dy2 Dy 0.25003 0.25003 0.74997 1.00000
  Dy3 Dy 0.75000 0.75000 0.75000 1.00000
  Dy4 Dy 0.25003 0.74997 0.74997 1.00000
  Dy5 Dy 0.74997 0.25003 0.25003 1.00000
  Dy6 Dy 0.25000 0.25000 0.25000 1.00000
  Dy7 Dy 0.74997 0.74997 0.25003 1.00000
  Dy8 Dy 0.74997 0.25003 0.74997 1.00000
  Ge1 Ge 0.00000 0.00000 0.00000 1.00000
  S1 S 0.50000 0.50000 0.50000 1.00000
  S2 S 0.50000 0.00000 0.00000 1.00000
  S3 S 0.50000 0.50000 0.00000 1.00000
  S4 S 0.50000 0.00000 0.50000 1.00000
  S5 S 0.00000 0.00000 0.50000 1.00000
  S6 S 0.00000 0.50000 0.00000 1.00000
  S7 S 0.00000 0.50000 0.50000 1.00000
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