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Sr2Dy5In2

Alexandria ALEX

Alex-ID: agm008961819 · Space group: C2/m (#12)

Basic Information

Formula
Sr2Dy5In2
Alex-ID
agm008961819
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
298.72
ų
Cell a
6.9493
Å
Cell b
6.9493
Å
Cell c
12.8812
Å
α angle
69.41
°
β angle
69.41
°
γ angle
31.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Dy5In2
Sr
2.00 · 22.2%
Dy
5.00 · 55.6%
In
2.00 · 22.2%

Energy & Stability

Energy above hull
0.1114
eV/atom
Formation energy
-0.1198
eV/atom
Corrected total energy
-33.0152
eV
Raw total energy
-33.0152
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.7468
Total magnetisation
0.0003
μB

Additional Information

Prototype ID

A2B2C5_803_spg12

Decomposition

Dy2In Sr Dy

Computed at

2024-07-13 17:30:09.568729

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: agm008961819).

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 agm008961819
data_agm008961819
_cell_length_a     6.94933
_cell_length_b     6.94933
_cell_length_c     12.88116
_cell_angle_alpha  69.40534
_cell_angle_beta   69.40534
_cell_angle_gamma  31.05063
_cell_volume       298.71514
_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
  Sr1 Sr 0.32267 0.32267 0.85093 1.00000
  Sr2 Sr 0.67733 0.67733 0.14907 1.00000
  Dy1 Dy 0.61821 0.61821 0.74944 1.00000
  Dy2 Dy 0.38179 0.38179 0.25056 1.00000
  Dy3 Dy 0.32889 0.32889 0.55646 1.00000
  Dy4 Dy 0.67111 0.67111 0.44354 1.00000
  Dy5 Dy 0.00000 0.00000 0.00000 1.00000
  In1 In 0.99353 0.99353 0.62977 1.00000
  In2 In 0.00647 0.00647 0.37023 1.00000
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