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Sr8Ag2Rh3

Alexandria ALEX

Alex-ID: agm005642083 · Space group: Cmmm (#65)

Basic Information

Formula
Sr8Ag2Rh3
Alex-ID
agm005642083
Elements
3
Sites
13
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
431.33
ų
Cell a
5.3069
Å
Cell b
10.6026
Å
Cell c
9.3349
Å
α angle
124.80
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr8Ag2Rh3
Sr
8.00 · 61.5%
Ag
2.00 · 15.4%
Rh
3.00 · 23.1%

Energy & Stability

Energy above hull
0.0889
eV/atom
Formation energy
-0.1754
eV/atom
Corrected total energy
-43.5528
eV
Raw total energy
-43.5528
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.1541
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C8_146_spg65

Decomposition

Sr5AgRh2 SrAg

Computed at

2023-06-16 10:45:22.560624

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: agm005642083).

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 agm005642083
data_agm005642083
_cell_length_a     5.30691
_cell_length_b     10.60263
_cell_length_c     9.33494
_cell_angle_alpha  124.79635
_cell_angle_beta   90.00024
_cell_angle_gamma  90.00001
_cell_volume       431.32846
_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
  Sr1 Sr 1.00000 0.61655 0.23286 1.00000
  Sr2 Sr 0.00000 0.38345 0.76714 1.00000
  Sr3 Sr 1.00000 0.11376 0.22731 1.00000
  Sr4 Sr 0.00000 0.88624 0.77269 1.00000
  Sr5 Sr 0.50000 0.64151 0.77020 1.00000
  Sr6 Sr 0.50000 0.12867 0.77035 1.00000
  Sr7 Sr 0.50000 0.87133 0.22965 1.00000
  Sr8 Sr 0.50000 0.35849 0.22980 1.00000
  Ag1 Ag 0.50000 0.25058 0.50110 1.00000
  Ag2 Ag 0.50000 0.74942 0.49890 1.00000
  Rh1 Rh 0.50000 0.00000 0.00000 1.00000
  Rh2 Rh 0.00000 0.25198 0.00008 1.00000
  Rh3 Rh 1.00000 0.74802 0.99992 1.00000
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