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Dy3Er3ReSn2

Alexandria ALEX

Alex-ID: agm033459135 · Space group: P-62m (#189)

Alexandria Database API

Basic Information

Formula
Dy3Er3ReSn2
Alex-ID
agm033459135
Elements
4
Sites
9
Space group
P-62m (#189)
Crystal system
hexagonal
Volume
245.79
ų
Cell a
8.0216
Å
Cell b
8.0216
Å
Cell c
4.4107
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Er3ReSn2
Dy
3.00 · 33.3%
Er
3.00 · 33.3%
Re
1.00 · 11.1%
Sn
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0288
eV/atom
Formation energy
-0.4461
eV/atom
Corrected total energy
-51.9687
eV
Raw total energy
-51.9687
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.1390
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C3D3_47_spg189

Decomposition

Dy3Er2Sn3 Dy5Er4 DyEr5 ErRe2

Computed at

2025-01-07 01:45:20

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: agm033459135).

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 agm033459135
data_agm033459135
_cell_length_a     8.02163
_cell_length_b     8.02163
_cell_length_c     4.41074
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       245.79166
_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 0.60201 0.00000 1.00000
  Dy2 Dy 0.39799 0.39799 0.00000 1.00000
  Dy3 Dy 0.60201 0.00000 0.00000 1.00000
  Er1 Er 0.24040 0.00000 0.50000 1.00000
  Er2 Er 0.75960 0.75960 0.50000 1.00000
  Er3 Er 0.00000 0.24040 0.50000 1.00000
  Re1 Re 0.00000 0.00000 0.00000 1.00000
  Sn1 Sn 0.66667 0.33333 0.50000 1.00000
  Sn2 Sn 0.33333 0.66667 0.50000 1.00000
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