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Rb7(CdAu)2

Alexandria ALEX

Alex-ID: agm005568682 · Space group: C2/m (#12)

Basic Information

Formula
Rb7(CdAu)2
Alex-ID
agm005568682
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
635.57
ų
Cell a
7.6480
Å
Cell b
9.6903
Å
Cell c
9.6903
Å
α angle
115.88
°
β angle
95.49
°
γ angle
95.49
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb7(CdAu)2
Rb
7.00 · 63.6%
Cd
2.00 · 18.2%
Au
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0735
eV/atom
Formation energy
-0.0739
eV/atom
Corrected total energy
-15.9878
eV
Raw total energy
-15.9878
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.8910
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C7_703_spg12

Decomposition

Rb2CdAu Rb

Computed at

2023-06-05 00:17:38.912770

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: agm005568682).

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 agm005568682
data_agm005568682
_cell_length_a     7.64795
_cell_length_b     9.69030
_cell_length_c     9.69030
_cell_angle_alpha  115.87592
_cell_angle_beta   95.49130
_cell_angle_gamma  95.49129
_cell_volume       635.56934
_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
  Rb1 Rb 0.25744 0.97870 0.38195 1.00000
  Rb2 Rb 0.74256 0.61805 0.02130 1.00000
  Rb3 Rb 0.74256 0.02130 0.61805 1.00000
  Rb4 Rb 0.25744 0.38195 0.97870 1.00000
  Rb5 Rb 0.00000 0.00000 0.00000 1.00000
  Rb6 Rb 0.79383 0.33904 0.33904 1.00000
  Rb7 Rb 0.20617 0.66096 0.66096 1.00000
  Cd1 Cd 0.50000 0.62057 0.37943 1.00000
  Cd2 Cd 0.50000 0.37943 0.62057 1.00000
  Au1 Au 0.70959 0.67327 0.67327 1.00000
  Au2 Au 0.29041 0.32673 0.32673 1.00000
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