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Dy6Pt5Rh

Alexandria ALEX

Alex-ID: agm006072035 · Space group: Immm (#71)

Basic Information

Formula
Dy6Pt5Rh
Alex-ID
agm006072035
Elements
3
Sites
12
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
253.42
ų
Cell a
4.9181
Å
Cell b
8.5341
Å
Cell c
8.5341
Å
α angle
120.02
°
β angle
106.75
°
γ angle
106.75
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6Pt5Rh
Rh
1.00 · 8.3%
Pt
5.00 · 41.7%
Dy
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0584
eV/atom
Formation energy
-1.1483
eV/atom
Corrected total energy
-79.1931
eV
Raw total energy
-79.1931
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.9581
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5C6_53_spg71

Decomposition

DyPt DyRh

Computed at

2023-09-04 13:30:31.471602

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: agm006072035).

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 agm006072035
data_agm006072035
_cell_length_a     4.91814
_cell_length_b     8.53409
_cell_length_c     8.53409
_cell_angle_alpha  120.02059
_cell_angle_beta   106.74696
_cell_angle_gamma  106.74697
_cell_volume       253.41997
_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
  Rh1 Rh 0.00000 0.00000 0.00000 1.00000
  Pt1 Pt 0.50000 0.16267 0.83733 1.00000
  Pt2 Pt 0.00000 0.33113 0.66887 1.00000
  Pt3 Pt 0.50000 0.50000 0.50000 1.00000
  Pt4 Pt 1.00000 0.66887 0.33113 1.00000
  Pt5 Pt 0.50000 0.83733 0.16267 1.00000
  Dy1 Dy 0.24941 0.08348 0.41533 1.00000
  Dy2 Dy 0.75059 0.58467 0.91652 1.00000
  Dy3 Dy 0.74920 0.24919 0.24919 1.00000
  Dy4 Dy 0.25080 0.75081 0.75081 1.00000
  Dy5 Dy 0.24941 0.41533 0.08348 1.00000
  Dy6 Dy 0.75059 0.91652 0.58467 1.00000
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