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Y6Ag3Ru2Pt

Alexandria ALEX

Alex-ID: agm044774253 · Space group: C2/m (#12)

Basic Information

Formula
Y6Ag3Ru2Pt
Alex-ID
agm044774253
Elements
4
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
267.57
ų
Cell a
7.8027
Å
Cell b
7.8027
Å
Cell c
8.8184
Å
α angle
58.00
°
β angle
122.00
°
γ angle
143.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y6Ag3Ru2Pt
Y
6.00 · 50.0%
Ag
3.00 · 25.0%
Ru
2.00 · 16.7%
Pt
1.00 · 8.3%

Energy & Stability

Energy above hull
0.0258
eV/atom
Formation energy
-0.5009
eV/atom
Corrected total energy
-77.9824
eV
Raw total energy
-77.9824
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.1633
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D6_407_spg2

Decomposition

Y2AgPt Y2AgRu

Computed at

2025-01-22 03:45:06

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: agm044774253).

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 agm044774253
data_agm044774253
_cell_length_a     7.80274
_cell_length_b     7.80274
_cell_length_c     8.81842
_cell_angle_alpha  58.00439
_cell_angle_beta   121.99561
_cell_angle_gamma  143.06813
_cell_volume       267.57131
_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 0.90825 0.09175 0.22982 1.00000
  Y2 Y 0.75499 0.24501 0.77143 1.00000
  Y3 Y 0.09175 0.90825 0.77018 1.00000
  Y4 Y 0.57735 0.42265 0.23159 1.00000
  Y5 Y 0.24501 0.75499 0.22857 1.00000
  Y6 Y 0.42265 0.57735 0.76841 1.00000
  Ag1 Ag 0.16839 0.83161 0.50235 1.00000
  Ag2 Ag 0.83161 0.16839 0.49765 1.00000
  Ag3 Ag 0.50000 0.50000 0.50000 1.00000
  Ru1 Ru 0.33289 0.66711 0.00008 1.00000
  Ru2 Ru 0.66711 0.33289 0.99992 1.00000
  Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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