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Y8Ag4Rh

Alexandria ALEX

Alex-ID: agm098103032 · Space group: Pm (#6)

Basic Information

Formula
Y8Ag4Rh
Alex-ID
agm098103032
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
350.18
ų
Cell a
4.8282
Å
Cell b
8.5661
Å
Cell c
9.0071
Å
α angle
109.94
°
β angle
90.01
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y8Ag4Rh
Y
8.00 · 61.5%
Ag
4.00 · 30.8%
Rh
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1187
eV/atom
Formation energy
-0.2461
eV/atom
Corrected total energy
-73.6600
eV
Raw total energy
-73.6600
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.8207
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_240_spg12

Decomposition

Y4AgRh YAg Y

Computed at

2025-06-19 20:13:20

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: agm098103032).

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 agm098103032
data_agm098103032
_cell_length_a     4.82818
_cell_length_b     8.56607
_cell_length_c     9.00706
_cell_angle_alpha  109.94187
_cell_angle_beta   90.00521
_cell_angle_gamma  89.99546
_cell_volume       350.18171
_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 0.30780 0.10147 0.42311 1.00000
  Y2 Y 0.30769 0.20939 0.86946 1.00000
  Y3 Y 0.30758 0.58854 0.20791 1.00000
  Y4 Y 0.30766 0.73546 0.85332 1.00000
  Y5 Y 0.80767 0.27738 0.21001 1.00000
  Y6 Y 0.80759 0.42180 0.67301 1.00000
  Y7 Y 0.80770 0.86610 0.16142 1.00000
  Y8 Y 0.80746 0.72413 0.51350 1.00000
  Ag1 Ag 0.80776 0.97105 0.87590 1.00000
  Ag2 Ag 0.80797 0.07470 0.60768 1.00000
  Ag3 Ag 0.80761 0.49774 0.00636 1.00000
  Ag4 Ag 0.30754 0.48131 0.49274 1.00000
  Rh1 Rh 0.30795 0.05094 0.10557 1.00000
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