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Dy4SnSbC

Alexandria ALEX

Alex-ID: agm063202971 · Space group: I4mm (#107)

Basic Information

Formula
Dy4SnSbC
Alex-ID
agm063202971
Elements
4
Sites
7
Space group
I4mm (#107)
Crystal system
tetragonal
Volume
182.30
ų
Cell a
8.5948
Å
Cell b
8.5948
Å
Cell c
8.5948
Å
α angle
147.53
°
β angle
147.53
°
γ angle
46.58
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4SnSbC
Dy
4.00 · 57.1%
Sn
1.00 · 14.3%
Sb
1.00 · 14.3%
C
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0462
eV/atom
Formation energy
-0.7264
eV/atom
Corrected total energy
-40.8491
eV
Raw total energy
-40.8491
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.6012
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

ABCD4_88_spg107

Decomposition

Dy3SnC DySb

Computed at

2025-04-17 16:58:42

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: agm063202971).

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 agm063202971
data_agm063202971
_cell_length_a     8.59477
_cell_length_b     8.59477
_cell_length_c     8.59477
_cell_angle_alpha  147.53305
_cell_angle_beta   147.53305
_cell_angle_gamma  46.57515
_cell_volume       182.29835
_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 0.49887 0.99887 0.50000 1.00000
  Dy2 Dy 0.99887 0.49887 0.50000 1.00000
  Dy3 Dy 0.84180 0.84180 0.00000 1.00000
  Dy4 Dy 0.15777 0.15777 0.00000 1.00000
  Sn1 Sn 0.35874 0.35874 0.00000 1.00000
  Sb1 Sb 0.64224 0.64224 0.00000 1.00000
  C1 C 0.00355 0.00355 0.00000 1.00000
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