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Dy2CdSb4

Alexandria ALEX

Alex-ID: agm003450737 · Space group: P-4m2 (#115)

Basic Information

Formula
Dy2CdSb4
Alex-ID
agm003450737
Elements
3
Sites
7
Space group
P-4m2 (#115)
Crystal system
tetragonal
Volume
196.89
ų
Cell a
4.3088
Å
Cell b
4.3088
Å
Cell c
10.6051
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2CdSb4
Dy
2.00 · 28.6%
Cd
1.00 · 14.3%
Sb
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0311
eV/atom
Formation energy
-0.6273
eV/atom
Corrected total energy
-31.0116
eV
Raw total energy
-31.0116
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.2068
eV
DOS at Fermi level
2.9803
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_181_spg115

Decomposition

CdSb Sb DySb

Computed at

2022-02-28 17:09:03.823399

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: agm003450737).

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 agm003450737
data_agm003450737
_cell_length_a     4.30877
_cell_length_b     4.30877
_cell_length_c     10.60510
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       196.88904
_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 0.50000 0.00000 0.73106 1.00000
  Dy2 Dy 0.00000 0.50000 0.26894 1.00000
  Cd1 Cd 0.50000 0.50000 0.00000 1.00000
  Sb1 Sb 0.50000 0.00000 0.18100 1.00000
  Sb2 Sb 0.00000 0.50000 0.81900 1.00000
  Sb3 Sb 0.50000 0.50000 0.50000 1.00000
  Sb4 Sb 0.00000 0.00000 0.50000 1.00000
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