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Dy2CoSn2Ru

Alexandria ALEX

Alex-ID: agm047531990 · Space group: Ibam (#72)

Basic Information

Formula
Dy2CoSn2Ru
Alex-ID
agm047531990
Elements
4
Sites
12
Space group
Ibam (#72)
Crystal system
orthorhombic
Volume
265.30
ų
Cell a
8.0743
Å
Cell b
8.0743
Å
Cell c
6.3052
Å
α angle
67.05
°
β angle
112.95
°
γ angle
134.59
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2CoSn2Ru
Dy
4.00 · 33.3%
Co
2.00 · 16.7%
Sn
4.00 · 33.3%
Ru
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0414
eV/atom
Formation energy
-0.5093
eV/atom
Corrected total energy
-73.3374
eV
Raw total energy
-73.3374
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0033
eV
DOS at Fermi level
9.1609
Total magnetisation
0.8403
μB

Additional Information

Prototype ID

ABC2D2_31_spg72

Decomposition

Dy3Co2Sn3 DySnRu Co

Computed at

2025-01-02 08:10:28

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: agm047531990).

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 agm047531990
data_agm047531990
_cell_length_a     8.07429
_cell_length_b     8.07429
_cell_length_c     6.30518
_cell_angle_alpha  67.05388
_cell_angle_beta   112.94612
_cell_angle_gamma  134.59259
_cell_volume       265.29802
_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 0.09886 0.38951 0.35491 1.00000
  Dy2 Dy 0.90114 0.61049 0.64509 1.00000
  Dy3 Dy 0.38951 0.09886 0.14509 1.00000
  Dy4 Dy 0.61049 0.90114 0.85491 1.00000
  Co1 Co 0.49995 0.49995 0.25000 1.00000
  Co2 Co 0.50005 0.50005 0.75000 1.00000
  Sn1 Sn 0.62673 0.84844 0.38928 1.00000
  Sn2 Sn 0.15156 0.37327 0.88928 1.00000
  Sn3 Sn 0.84844 0.62673 0.11072 1.00000
  Sn4 Sn 0.37327 0.15156 0.61072 1.00000
  Ru1 Ru 0.00006 0.00006 0.25000 1.00000
  Ru2 Ru 0.99994 0.99994 0.75000 1.00000
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