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Dy6Ag3Os2Rh

Alexandria ALEX

Alex-ID: agm033357803 · Space group: P2/m (#10)

Basic Information

Formula
Dy6Ag3Os2Rh
Alex-ID
agm033357803
Elements
4
Sites
12
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
265.14
ų
Cell a
8.3037
Å
Cell b
3.4224
Å
Cell c
10.1872
Å
α angle
90.00
°
β angle
113.68
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6Ag3Os2Rh
Dy
6.00 · 50.0%
Ag
3.00 · 25.0%
Os
2.00 · 16.7%
Rh
1.00 · 8.3%

Energy & Stability

Energy above hull
0.0029
eV/atom
Formation energy
-0.4113
eV/atom
Corrected total energy
-70.9232
eV
Raw total energy
-70.9232
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0065
eV
DOS at Fermi level
7.3447
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D6_125_spg2

Decomposition

DyOs2 Dy5Rh3 Dy4Ag3Os Dy2AgRh

Computed at

2025-01-19 04:36:48

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: agm033357803).

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 agm033357803
data_agm033357803
_cell_length_a     8.30374
_cell_length_b     3.42241
_cell_length_c     10.18722
_cell_angle_alpha  90.00000
_cell_angle_beta   113.67604
_cell_angle_gamma  90.00000
_cell_volume       265.14081
_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 0.68317 0.00000 0.90650 1.00000
  Dy2 Dy 0.35238 0.00000 0.57366 1.00000
  Dy3 Dy 0.31683 0.00000 0.09350 1.00000
  Dy4 Dy 0.01909 0.00000 0.24258 1.00000
  Dy5 Dy 0.98091 0.00000 0.75742 1.00000
  Dy6 Dy 0.64762 0.00000 0.42634 1.00000
  Ag1 Ag 0.00000 0.50000 0.50000 1.00000
  Ag2 Ag 0.66568 0.50000 0.16680 1.00000
  Ag3 Ag 0.33432 0.50000 0.83320 1.00000
  Os1 Os 0.66957 0.50000 0.66957 1.00000
  Os2 Os 0.33043 0.50000 0.33043 1.00000
  Rh1 Rh 0.00000 0.50000 0.00000 1.00000
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