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RbCdAu

Alexandria ALEX

Alex-ID: agm015723979 · Space group: Cmcm (#63)

Alexandria Database API

Basic Information

Formula
RbCdAu
Alex-ID
agm015723979
Elements
3
Sites
6
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
185.68
ų
Cell a
6.7666
Å
Cell b
6.7666
Å
Cell c
6.2262
Å
α angle
90.00
°
β angle
90.00
°
γ angle
139.36
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RbCdAu
Rb
2.00 · 33.3%
Cd
2.00 · 33.3%
Au
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0105
eV/atom
Formation energy
-0.2269
eV/atom
Corrected total energy
-11.6985
eV
Raw total energy
-11.6985
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.2212
eV
DOS at Fermi level
1.2559
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_616_spg12

Decomposition

Rb2Cd3Au2 RbAu

Computed at

2025-04-14 12:45:03

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: agm015723979).

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 agm015723979
data_agm015723979
_cell_length_a     6.76657
_cell_length_b     6.76657
_cell_length_c     6.22617
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  139.35829
_cell_volume       185.67629
_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 0.71391 0.28609 0.25000 1.00000
  Rb2 Rb 0.28609 0.71391 0.75000 1.00000
  Cd1 Cd 0.00000 0.00000 0.50000 1.00000
  Cd2 Cd 0.00000 0.00000 0.00000 1.00000
  Au1 Au 0.44052 0.55948 0.25000 1.00000
  Au2 Au 0.55948 0.44052 0.75000 1.00000
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