Cs(Rb2Ag)6

Alexandria ALEX

Alex-ID: agm006129239 · Space group: Im-3 (#204)

Alexandria Database API

Basic Information

Formula

Cs(Rb2Ag)6

Alex-ID

agm006129239

Elements

Sites

Space group

Im-3 (#204)

Crystal system

cubic

Volume

1,171.20

Å³

Cell a

11.5014

Cell b

11.5014

Cell c

11.5014

α angle

109.47

β angle

109.47

γ angle

109.47

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Cs(Rb2Ag)6

1.00 · 5.3%

12.00 · 63.2%

6.00 · 31.6%

Energy & Stability

Energy above hull

0.0592

eV/atom

Formation energy

0.0592

eV/atom

Corrected total energy

-28.4499

Raw total energy

-28.4499

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

11.2000

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

AB6C12_0_spg204

Decomposition

Cs Rb Ag

Computed at

2023-08-26 09:33:56.574965

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: agm006129239).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm006129239
data_agm006129239
_cell_length_a     11.50139
_cell_length_b     11.50139
_cell_length_c     11.50139
_cell_angle_alpha  109.47122
_cell_angle_beta   109.47122
_cell_angle_gamma  109.47122
_cell_volume       1171.19540
_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
  Cs1 Cs 0.00000 0.00000 0.00000 1.00000
  Rb1 Rb 0.32508 0.13934 0.81426 1.00000
  Rb2 Rb 0.32508 0.51082 0.18574 1.00000
  Rb3 Rb 0.67492 0.48918 0.81426 1.00000
  Rb4 Rb 0.67492 0.86066 0.18574 1.00000
  Rb5 Rb 0.13934 0.81426 0.32508 1.00000
  Rb6 Rb 0.51082 0.18574 0.32508 1.00000
  Rb7 Rb 0.48918 0.81426 0.67492 1.00000
  Rb8 Rb 0.86066 0.18574 0.67492 1.00000
  Rb9 Rb 0.81426 0.32508 0.13934 1.00000
  Rb10 Rb 0.18574 0.32508 0.51082 1.00000
  Rb11 Rb 0.81426 0.67492 0.48918 1.00000
  Rb12 Rb 0.18574 0.67492 0.86066 1.00000
  Ag1 Ag 0.39322 0.50000 0.89322 1.00000
  Ag2 Ag 0.60678 0.50000 0.10678 1.00000
  Ag3 Ag 0.50000 0.89322 0.39322 1.00000
  Ag4 Ag 0.50000 0.10678 0.60678 1.00000
  Ag5 Ag 0.89322 0.39322 0.50000 1.00000
  Ag6 Ag 0.10678 0.60678 0.50000 1.00000

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