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Rb7Cd3In2

Alexandria ALEX

Alex-ID: agm101409202 · Space group: P1 (#1)

Basic Information

Formula
Rb7Cd3In2
Alex-ID
agm101409202
Elements
3
Sites
12
Space group
P1 (#1)
Crystal system
triclinic
Volume
634.18
ų
Cell a
7.4842
Å
Cell b
6.8002
Å
Cell c
14.9999
Å
α angle
72.55
°
β angle
91.53
°
γ angle
62.59
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb7Cd3In2
Rb
7.00 · 58.3%
Cd
3.00 · 25.0%
In
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0631
eV/atom
Formation energy
-0.0034
eV/atom
Corrected total energy
-15.1242
eV
Raw total energy
-15.1242
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.1119
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_886_spg1

Decomposition

Rb2Cd3 Rb8In11 Rb

Computed at

2025-05-19 01:15:14

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: agm101409202).

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 agm101409202
data_agm101409202
_cell_length_a     7.48416
_cell_length_b     6.80020
_cell_length_c     14.99994
_cell_angle_alpha  72.54724
_cell_angle_beta   91.52724
_cell_angle_gamma  62.59314
_cell_volume       634.17554
_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 0.56703 0.77434 0.44598 1.00000
  Rb2 Rb 0.50316 0.03553 0.08073 1.00000
  Rb3 Rb 0.18397 0.61745 0.20454 1.00000
  Rb4 Rb 0.90636 0.14465 0.37187 1.00000
  Rb5 Rb 0.66370 0.18485 0.69622 1.00000
  Rb6 Rb 0.03840 0.49945 0.72247 1.00000
  Rb7 Rb 0.42778 0.69643 0.87891 1.00000
  Cd1 Cd 0.94198 0.10290 0.96064 1.00000
  Cd2 Cd 0.21838 0.42197 0.47838 1.00000
  Cd3 Cd 0.21401 0.00393 0.61244 1.00000
  In1 In 0.89340 0.33922 0.10194 1.00000
  In2 In 0.94182 0.67927 0.94588 1.00000
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