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Y6Ag3OsRh2

Alexandria ALEX

Alex-ID: agm034782875 · Space group: Cmmm (#65)

Basic Information

Formula
Y6Ag3OsRh2
Alex-ID
agm034782875
Elements
4
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
266.76
ų
Cell a
7.7976
Å
Cell b
7.7976
Å
Cell c
7.2931
Å
α angle
90.00
°
β angle
90.00
°
γ angle
143.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y6Ag3OsRh2
Y
6.00 · 50.0%
Ag
3.00 · 25.0%
Os
1.00 · 8.3%
Rh
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0149
eV/atom
Formation energy
-0.4916
eV/atom
Corrected total energy
-79.1643
eV
Raw total energy
-79.1643
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.4037
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D6_176_spg12

Decomposition

Y5Rh3 YOs2 Y3Ag2Rh YAg

Computed at

2025-02-06 19:34:54

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: agm034782875).

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 agm034782875
data_agm034782875
_cell_length_a     7.79762
_cell_length_b     7.79762
_cell_length_c     7.29309
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  143.01709
_cell_volume       266.76351
_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
  Y1 Y 0.66503 0.33497 0.27050 1.00000
  Y2 Y 0.33497 0.66503 0.27050 1.00000
  Y3 Y 0.33497 0.66503 0.72950 1.00000
  Y4 Y 0.00000 0.00000 0.27215 1.00000
  Y5 Y 0.00000 0.00000 0.72785 1.00000
  Y6 Y 0.66503 0.33497 0.72950 1.00000
  Ag1 Ag 0.50000 0.50000 0.00000 1.00000
  Ag2 Ag 0.16747 0.83253 0.00000 1.00000
  Ag3 Ag 0.83253 0.16747 0.00000 1.00000
  Os1 Os 0.50000 0.50000 0.50000 1.00000
  Rh1 Rh 0.16860 0.83140 0.50000 1.00000
  Rh2 Rh 0.83140 0.16860 0.50000 1.00000
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