Navigation

HEAS Data Platform · Materials Science Database

Dy(Ag2Sb)4

Alexandria ALEX

Alex-ID: agm097780696 · Space group: Cm (#8)

Basic Information

Formula
Dy(Ag2Sb)4
Alex-ID
agm097780696
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
309.48
ų
Cell a
4.9904
Å
Cell b
8.0956
Å
Cell c
8.0939
Å
α angle
108.75
°
β angle
88.95
°
γ angle
88.91
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy(Ag2Sb)4
Dy
1.00 · 7.7%
Ag
8.00 · 61.5%
Sb
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0862
eV/atom
Formation energy
-0.1014
eV/atom
Corrected total energy
-45.2210
eV
Raw total energy
-45.2210
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.8569
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_636_spg1

Decomposition

DyAgSb2 Sb Ag

Computed at

2025-06-01 21:56:43

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: agm097780696).

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 agm097780696
data_agm097780696
_cell_length_a     4.99044
_cell_length_b     8.09560
_cell_length_c     8.09393
_cell_angle_alpha  108.75225
_cell_angle_beta   88.94910
_cell_angle_gamma  88.91411
_cell_volume       309.48281
_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 0.21989 0.19614 0.19592 1.00000
  Ag1 Ag 0.70218 0.09569 0.40400 1.00000
  Ag2 Ag 0.43779 0.14990 0.80512 1.00000
  Ag3 Ag 0.29809 0.61203 0.38239 1.00000
  Ag4 Ag 0.72474 0.60697 0.83357 1.00000
  Ag5 Ag 0.70182 0.40478 0.09621 1.00000
  Ag6 Ag 0.29840 0.38187 0.61167 1.00000
  Ag7 Ag 0.43607 0.80504 0.14969 1.00000
  Ag8 Ag 0.72596 0.83347 0.60687 1.00000
  Sb1 Sb 0.76324 0.98795 0.98830 1.00000
  Sb2 Sb 0.19627 0.97959 0.48714 1.00000
  Sb3 Sb 0.19581 0.48682 0.97925 1.00000
  Sb4 Sb 0.79974 0.45975 0.45989 1.00000
Get direct link