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Dy6CuAg3Pt2

Alexandria ALEX

Alex-ID: agm044491226 · Space group: Cmmm (#65)

Basic Information

Formula
Dy6CuAg3Pt2
Alex-ID
agm044491226
Elements
4
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
272.58
ų
Cell a
7.8736
Å
Cell b
7.8736
Å
Cell c
7.3667
Å
α angle
90.00
°
β angle
90.00
°
γ angle
143.35
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6CuAg3Pt2
Dy
6.00 · 50.0%
Cu
1.00 · 8.3%
Ag
3.00 · 25.0%
Pt
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0239
eV/atom
Formation energy
-0.6157
eV/atom
Corrected total energy
-59.9008
eV
Raw total energy
-59.9008
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0060
eV
DOS at Fermi level
9.0293
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D6_176_spg12

Decomposition

Dy2AgPt Dy2CuPt DyAg

Computed at

2025-02-04 12:05:29

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: agm044491226).

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 agm044491226
data_agm044491226
_cell_length_a     7.87356
_cell_length_b     7.87356
_cell_length_c     7.36671
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  143.35434
_cell_volume       272.57836
_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 0.66745 0.33255 0.76812 1.00000
  Dy2 Dy 0.33255 0.66745 0.76812 1.00000
  Dy3 Dy 0.33255 0.66745 0.23188 1.00000
  Dy4 Dy 0.00000 0.00000 0.76471 1.00000
  Dy5 Dy 0.00000 0.00000 0.23529 1.00000
  Dy6 Dy 0.66745 0.33255 0.23188 1.00000
  Cu1 Cu 0.50000 0.50000 0.00000 1.00000
  Ag1 Ag 0.50000 0.50000 0.50000 1.00000
  Ag2 Ag 0.17035 0.82965 0.50000 1.00000
  Ag3 Ag 0.82965 0.17035 0.50000 1.00000
  Pt1 Pt 0.15846 0.84154 0.00000 1.00000
  Pt2 Pt 0.84154 0.15846 0.00000 1.00000
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