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Dy5(SnBi)2

Alexandria ALEX

Alex-ID: agm003315840 · Space group: Cmce (#64)

Basic Information

Formula
Dy5(SnBi)2
Alex-ID
agm003315840
Elements
3
Sites
18
Space group
Cmce (#64)
Crystal system
orthorhombic
Volume
528.34
ų
Cell a
8.2388
Å
Cell b
8.2132
Å
Cell c
8.8221
Å
α angle
117.74
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5(SnBi)2
Dy
10.00 · 55.6%
Sn
4.00 · 22.2%
Bi
4.00 · 22.2%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.7942
eV/atom
Corrected total energy
-91.8673
eV
Raw total energy
-91.8673
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
12.9541
Total magnetisation
0.0013
μB

Additional Information

Prototype ID

A2B2C5_59_spg64

Decomposition

Dy5(SnBi)2

Computed at

2022-01-22 02:25:01.223375

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: agm003315840).

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 agm003315840
data_agm003315840
_cell_length_a     8.23880
_cell_length_b     8.21325
_cell_length_c     8.82205
_cell_angle_alpha  117.74228
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       528.34339
_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 0.00000 0.00000 0.00000 1.00000
  Dy2 Dy 0.50000 0.50000 0.00000 1.00000
  Dy3 Dy 0.83647 0.79589 0.26254 1.00000
  Dy4 Dy 0.16353 0.46665 0.26254 1.00000
  Dy5 Dy 0.33647 0.96665 0.26254 1.00000
  Dy6 Dy 0.66353 0.29589 0.26254 1.00000
  Dy7 Dy 0.16353 0.20411 0.73746 1.00000
  Dy8 Dy 0.83647 0.53335 0.73746 1.00000
  Dy9 Dy 0.66353 0.03335 0.73746 1.00000
  Dy10 Dy 0.33647 0.70411 0.73746 1.00000
  Sn1 Sn 0.63676 0.86267 0.00000 1.00000
  Sn2 Sn 0.36324 0.13733 0.00000 1.00000
  Sn3 Sn 0.13676 0.63733 0.00000 1.00000
  Sn4 Sn 0.86324 0.36267 0.00000 1.00000
  Bi1 Bi 0.00000 0.20439 0.40877 1.00000
  Bi2 Bi 0.50000 0.70439 0.40877 1.00000
  Bi3 Bi 0.00000 0.79561 0.59123 1.00000
  Bi4 Bi 0.50000 0.29561 0.59123 1.00000
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