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Rb2Cd2In15

Alexandria ALEX

Alex-ID: agm003301262 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Rb2Cd2In15
Alex-ID
agm003301262
Elements
3
Sites
19
Space group
R-3m (#166)
Crystal system
trigonal
Volume
565.62
ų
Cell a
8.3584
Å
Cell b
8.3584
Å
Cell c
8.3584
Å
α angle
81.30
°
β angle
81.30
°
γ angle
81.30
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb2Cd2In15
Rb
2.00 · 10.5%
Cd
2.00 · 10.5%
In
15.00 · 78.9%

Energy & Stability

Energy above hull
0.0605
eV/atom
Formation energy
0.0060
eV/atom
Corrected total energy
-45.2126
eV
Raw total energy
-45.2126
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.1299
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C15_9_spg166

Decomposition

RbCd11 CdIn6 RbIn4

Computed at

2022-01-18 04:43:45.609281

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: agm003301262).

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 agm003301262
data_agm003301262
_cell_length_a     8.35841
_cell_length_b     8.35841
_cell_length_c     8.35841
_cell_angle_alpha  81.29603
_cell_angle_beta   81.29603
_cell_angle_gamma  81.29603
_cell_volume       565.62001
_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 0.33744 0.33744 0.33744 1.00000
  Rb2 Rb 0.66256 0.66256 0.66256 1.00000
  Cd1 Cd 0.09522 0.09522 0.09522 1.00000
  Cd2 Cd 0.90478 0.90478 0.90478 1.00000
  In1 In 0.50000 0.00000 0.00000 1.00000
  In2 In 0.00000 0.00000 0.50000 1.00000
  In3 In 0.00000 0.50000 0.00000 1.00000
  In4 In 0.00000 0.70932 0.29068 1.00000
  In5 In 0.70932 0.29068 0.00000 1.00000
  In6 In 0.29068 0.00000 0.70932 1.00000
  In7 In 0.29068 0.70932 0.00000 1.00000
  In8 In 0.70932 0.00000 0.29068 1.00000
  In9 In 0.00000 0.29068 0.70932 1.00000
  In10 In 0.15037 0.64683 0.64683 1.00000
  In11 In 0.64683 0.64683 0.15037 1.00000
  In12 In 0.64683 0.15037 0.64683 1.00000
  In13 In 0.84963 0.35317 0.35317 1.00000
  In14 In 0.35317 0.35317 0.84963 1.00000
  In15 In 0.35317 0.84963 0.35317 1.00000
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