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DyGeSb

Alexandria ALEX

Alex-ID: agm005704190 · Space group: Cmcm (#63)

Basic Information

Formula
DyGeSb
Alex-ID
agm005704190
Elements
3
Sites
6
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
144.98
ų
Cell a
4.0925
Å
Cell b
4.3470
Å
Cell c
8.4341
Å
α angle
104.93
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyGeSb
Dy
2.00 · 33.3%
Ge
2.00 · 33.3%
Sb
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0463
eV/atom
Formation energy
-0.7079
eV/atom
Corrected total energy
-30.9342
eV
Raw total energy
-30.9342
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0836
eV
DOS at Fermi level
1.4365
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_10286_spg63

Decomposition

Ge DySb

Computed at

2023-06-17 12:15:54.999916

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: agm005704190).

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 agm005704190
data_agm005704190
_cell_length_a     4.09255
_cell_length_b     4.34701
_cell_length_c     8.43407
_cell_angle_alpha  104.93394
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       144.97686
_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 0.25000 0.09857 0.19714 1.00000
  Dy2 Dy 0.75000 0.90143 0.80286 1.00000
  Ge1 Ge 0.25000 0.44866 0.89731 1.00000
  Ge2 Ge 0.75000 0.55134 0.10269 1.00000
  Sb1 Sb 0.25000 0.74828 0.49656 1.00000
  Sb2 Sb 0.75000 0.25172 0.50344 1.00000
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