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Dy2AgSb3

Alexandria ALEX

Alex-ID: agm005270218 · Space group: P4/mmm (#123)

Basic Information

Formula
Dy2AgSb3
Alex-ID
agm005270218
Elements
3
Sites
6
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
1,115.09
ų
Cell a
8.2066
Å
Cell b
8.2066
Å
Cell c
16.5572
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2AgSb3
Sb
3.00 · 50.0%
Ag
1.00 · 16.7%
Dy
2.00 · 33.3%

Energy & Stability

Energy above hull
2.0085
eV/atom
Formation energy
1.2251
eV/atom
Corrected total energy
-17.0755
eV
Raw total energy
-17.0755
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0010
eV
DOS at Fermi level
9.1598
Total magnetisation
2.1078
μB

Additional Information

Prototype ID

AB2C3_724_spg123

Decomposition

DyAgSb2 DySb

Computed at

2023-04-20 20:40:26.932007

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: agm005270218).

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 agm005270218
data_agm005270218
_cell_length_a     8.20658
_cell_length_b     8.20658
_cell_length_c     16.55719
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       1115.09207
_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
  Sb1 Sb 0.50000 0.50000 0.65798 1.00000
  Sb2 Sb 0.50000 0.50000 0.34202 1.00000
  Sb3 Sb 0.50000 0.50000 0.00000 1.00000
  Ag1 Ag 0.50000 0.50000 0.50000 1.00000
  Dy1 Dy 0.50000 0.50000 0.17262 1.00000
  Dy2 Dy 0.50000 0.50000 0.82738 1.00000
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