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Cs2RbEuCl6

Alexandria ALEX

Alex-ID: agm005268949 · Space group: Fm-3m (#225)

Basic Information

Formula
Cs2RbEuCl6
Alex-ID
agm005268949
Elements
4
Sites
10
Space group
Fm-3m (#225)
Crystal system
cubic
Volume
399.48
ų
Cell a
8.2668
Å
Cell b
8.2668
Å
Cell c
8.2668
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cs2RbEuCl6
Cs
2.00 · 20.0%
Rb
1.00 · 10.0%
Eu
1.00 · 10.0%
Cl
6.00 · 60.0%

Energy & Stability

Energy above hull
0.0273
eV/atom
Formation energy
-2.3054
eV/atom
Corrected total energy
-43.5324
eV
Raw total energy
-43.5324
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.0489
Total magnetisation
5.9927
μB

Additional Information

Prototype ID

ABC2D6_1_spg225

Decomposition

Cs3EuCl6 CsCl3 CsEu2Cl6 RbCl

Computed at

2022-12-12 09:42:11.733420

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: agm005268949).

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 agm005268949
data_agm005268949
_cell_length_a     8.26678
_cell_length_b     8.26678
_cell_length_c     8.26678
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       399.47949
_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 0.75000 0.75000 0.75000 1.00000
  Cs2 Cs 0.25000 0.25000 0.25000 1.00000
  Rb1 Rb 0.50000 0.50000 0.50000 1.00000
  Eu1 Eu 0.00000 0.00000 0.00000 1.00000
  Cl1 Cl 0.76807 0.23193 0.23193 1.00000
  Cl2 Cl 0.23193 0.23193 0.76807 1.00000
  Cl3 Cl 0.23193 0.76807 0.76807 1.00000
  Cl4 Cl 0.23193 0.76807 0.23193 1.00000
  Cl5 Cl 0.76807 0.23193 0.76807 1.00000
  Cl6 Cl 0.76807 0.76807 0.23193 1.00000
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