Navigation

HEAS Data Platform · Materials Science Database

Cs10Rb

Alexandria ALEX

Alex-ID: agm048150810 · Space group: C2/m (#12)

Basic Information

Formula
Cs10Rb
Alex-ID
agm048150810
Elements
2
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
1,230.32
ų
Cell a
7.6726
Å
Cell b
12.0105
Å
Cell c
14.3191
Å
α angle
104.22
°
β angle
105.38
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cs10Rb
Cs
10.00 · 90.9%
Rb
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0030
eV/atom
Formation energy
0.0030
eV/atom
Corrected total energy
-9.4987
eV
Raw total energy
-9.4987
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.4481
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB10_21_spg2

Decomposition

Rb Cs

Computed at

2024-12-11 22:51:10

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: agm048150810).

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 agm048150810
data_agm048150810
_cell_length_a     7.67257
_cell_length_b     12.01048
_cell_length_c     14.31909
_cell_angle_alpha  104.21520
_cell_angle_beta   105.38056
_cell_angle_gamma  89.99563
_cell_volume       1230.31559
_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 0.41112 0.55087 0.82095 1.00000
  Cs2 Cs 0.68035 0.90951 0.36013 1.00000
  Cs3 Cs 0.86716 0.82232 0.73251 1.00000
  Cs4 Cs 0.95596 0.26852 0.91157 1.00000
  Cs5 Cs 0.13284 0.17768 0.26749 1.00000
  Cs6 Cs 0.31965 0.09049 0.63987 1.00000
  Cs7 Cs 0.58888 0.44913 0.17905 1.00000
  Cs8 Cs 0.04404 0.73148 0.08843 1.00000
  Cs9 Cs 0.77294 0.36430 0.54657 1.00000
  Cs10 Cs 0.22706 0.63570 0.45343 1.00000
  Rb1 Rb 0.50000 0.00000 0.00000 1.00000
Get direct link