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Dy8Fe2PtRh

Alexandria ALEX

Alex-ID: agm013350436 · Space group: P2/m (#10)

Basic Information

Formula
Dy8Fe2PtRh
Alex-ID
agm013350436
Elements
4
Sites
12
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
303.83
ų
Cell a
9.4912
Å
Cell b
4.7725
Å
Cell c
6.7279
Å
α angle
85.53
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8Fe2PtRh
Dy
8.00 · 66.7%
Fe
2.00 · 16.7%
Pt
1.00 · 8.3%
Rh
1.00 · 8.3%

Energy & Stability

Energy above hull
0.1473
eV/atom
Formation energy
-0.2835
eV/atom
Corrected total energy
-70.5967
eV
Raw total energy
-70.5967
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.6402
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D8_0_spg164

Decomposition

Dy3Pt Dy3Rh DyFe2 Dy

Computed at

2024-07-09 09:21:35.112140

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: agm013350436).

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 agm013350436
data_agm013350436
_cell_length_a     9.49119
_cell_length_b     4.77254
_cell_length_c     6.72793
_cell_angle_alpha  85.53278
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       303.82982
_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 0.24781 0.47174 0.75831 1.00000
  Dy2 Dy 0.00000 0.96994 0.75848 1.00000
  Dy3 Dy 0.24781 0.52826 0.24169 1.00000
  Dy4 Dy 0.75219 0.52826 0.24169 1.00000
  Dy5 Dy 0.00000 0.03006 0.24152 1.00000
  Dy6 Dy 0.75219 0.47174 0.75831 1.00000
  Dy7 Dy 0.50000 0.96915 0.76189 1.00000
  Dy8 Dy 0.50000 0.03085 0.23811 1.00000
  Fe1 Fe 0.74936 0.00000 0.00000 1.00000
  Fe2 Fe 0.25064 0.00000 0.00000 1.00000
  Pt1 Pt 0.50000 0.50000 0.50000 1.00000
  Rh1 Rh 0.00000 0.50000 0.50000 1.00000
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