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Dy6InSn2

Alexandria ALEX

Alex-ID: agm012708007 · Space group: C2/m (#12)

Basic Information

Formula
Dy6InSn2
Alex-ID
agm012708007
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
257.98
ų
Cell a
8.8648
Å
Cell b
8.8648
Å
Cell c
7.3094
Å
α angle
57.68
°
β angle
57.68
°
γ angle
32.75
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6InSn2
Dy
6.00 · 66.7%
In
1.00 · 11.1%
Sn
2.00 · 22.2%

Energy & Stability

Energy above hull
0.1436
eV/atom
Formation energy
-0.4005
eV/atom
Corrected total energy
-42.0019
eV
Raw total energy
-42.0019
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.6243
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_322_spg12

Decomposition

Dy2In Dy5Sn3 Dy

Computed at

2024-05-29 12:26:15.841749

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: agm012708007).

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 agm012708007
data_agm012708007
_cell_length_a     8.86476
_cell_length_b     8.86476
_cell_length_c     7.30938
_cell_angle_alpha  57.68007
_cell_angle_beta   57.68007
_cell_angle_gamma  32.74505
_cell_volume       257.98481
_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 0.28177 0.28177 0.13154 1.00000
  Dy2 Dy 0.38470 0.38470 0.54266 1.00000
  Dy3 Dy 0.61530 0.61530 0.45734 1.00000
  Dy4 Dy 0.05228 0.05228 0.20771 1.00000
  Dy5 Dy 0.94772 0.94772 0.79229 1.00000
  Dy6 Dy 0.71823 0.71823 0.86846 1.00000
  In1 In 0.50000 0.50000 0.00000 1.00000
  Sn1 Sn 0.83758 0.83758 0.32561 1.00000
  Sn2 Sn 0.16242 0.16242 0.67439 1.00000
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