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Rb2Cd

Alexandria ALEX

Alex-ID: agm005541535 · Space group: C2/m (#12)

Basic Information

Formula
Rb2Cd
Alex-ID
agm005541535
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
366.46
ų
Cell a
5.1478
Å
Cell b
7.5652
Å
Cell c
9.9316
Å
α angle
78.92
°
β angle
75.19
°
γ angle
90.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb2Cd
Rb
4.00 · 66.7%
Cd
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0002
eV/atom
Formation energy
-0.0374
eV/atom
Corrected total energy
-5.9421
eV
Raw total energy
-5.9421
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0226
eV
DOS at Fermi level
3.7462
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_2766_spg12

Decomposition

Rb2Cd3 Rb

Computed at

2023-05-28 13:51:24.415665

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: agm005541535).

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 agm005541535
data_agm005541535
_cell_length_a     5.14780
_cell_length_b     7.56518
_cell_length_c     9.93159
_cell_angle_alpha  78.92061
_cell_angle_beta   75.19122
_cell_angle_gamma  90.02794
_cell_volume       366.45802
_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 0.91746 0.20740 0.66205 1.00000
  Rb2 Rb 0.08254 0.79260 0.33795 1.00000
  Rb3 Rb 0.66112 0.33964 0.17906 1.00000
  Rb4 Rb 0.33888 0.66036 0.82094 1.00000
  Cd1 Cd 0.26546 0.10405 0.96898 1.00000
  Cd2 Cd 0.73454 0.89595 0.03102 1.00000
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