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Dy7(AgSb)2

Alexandria ALEX

Alex-ID: agm003323907 · Space group: Cmmm (#65)

Basic Information

Formula
Dy7(AgSb)2
Alex-ID
agm003323907
Elements
3
Sites
11
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
337.39
ų
Cell a
7.0295
Å
Cell b
6.9954
Å
Cell c
7.0295
Å
α angle
90.00
°
β angle
102.56
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy7(AgSb)2
Dy
7.00 · 63.6%
Ag
2.00 · 18.2%
Sb
2.00 · 18.2%

Energy & Stability

Energy above hull
0.3792
eV/atom
Formation energy
-0.1847
eV/atom
Corrected total energy
-48.2049
eV
Raw total energy
-48.2049
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.7801
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

A2B2C7_244_spg65

Decomposition

Dy5Sb3 DyAg Dy

Computed at

2022-01-23 22:21:26.144052

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: agm003323907).

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 agm003323907
data_agm003323907
_cell_length_a     7.02954
_cell_length_b     6.99537
_cell_length_c     7.02954
_cell_angle_alpha  89.99719
_cell_angle_beta   102.56423
_cell_angle_gamma  90.00281
_cell_volume       337.39455
_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 0.00001 0.26182 0.49998 1.00000
  Dy2 Dy 0.49998 0.73818 0.00001 1.00000
  Dy3 Dy 0.99999 0.73818 0.50002 1.00000
  Dy4 Dy 0.50002 0.26182 0.99999 1.00000
  Dy5 Dy 0.00000 0.00000 0.00000 1.00000
  Dy6 Dy 0.49999 0.75417 0.50001 1.00000
  Dy7 Dy 0.50001 0.24583 0.49999 1.00000
  Ag1 Ag 0.71989 0.99999 0.28011 1.00000
  Ag2 Ag 0.28011 0.00001 0.71989 1.00000
  Sb1 Sb 0.80252 0.50000 0.80252 1.00000
  Sb2 Sb 0.19748 0.50000 0.19748 1.00000
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