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Rb(Sr2Cd)4

Alexandria ALEX

Alex-ID: agm098008614 · Space group: Pm (#6)

Basic Information

Formula
Rb(Sr2Cd)4
Alex-ID
agm098008614
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
608.77
ų
Cell a
4.4712
Å
Cell b
12.2355
Å
Cell c
12.5914
Å
α angle
62.10
°
β angle
90.01
°
γ angle
89.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb(Sr2Cd)4
Rb
1.00 · 7.7%
Sr
8.00 · 61.5%
Cd
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0992
eV/atom
Formation energy
-0.1119
eV/atom
Corrected total energy
-19.6320
eV
Raw total energy
-19.6320
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.9164
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1504_spg8

Decomposition

Sr2Cd Rb

Computed at

2025-06-18 05:58:38

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: agm098008614).

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 agm098008614
data_agm098008614
_cell_length_a     4.47118
_cell_length_b     12.23548
_cell_length_c     12.59136
_cell_angle_alpha  62.10080
_cell_angle_beta   90.00707
_cell_angle_gamma  89.94476
_cell_volume       608.77316
_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 0.76817 0.13425 0.97871 1.00000
  Sr1 Sr 0.26900 0.15046 0.28654 1.00000
  Sr2 Sr 0.27090 0.77648 0.05983 1.00000
  Sr3 Sr 0.26657 0.45852 0.66165 1.00000
  Sr4 Sr 0.26979 0.08859 0.69523 1.00000
  Sr5 Sr 0.76871 0.80004 0.37251 1.00000
  Sr6 Sr 0.76899 0.35859 0.42013 1.00000
  Sr7 Sr 0.76967 0.51532 0.96627 1.00000
  Sr8 Sr 0.27049 0.78609 0.66195 1.00000
  Cd1 Cd 0.77058 0.85109 0.83076 1.00000
  Cd2 Cd 0.26901 0.46466 0.19130 1.00000
  Cd3 Cd 0.26857 0.59327 0.35839 1.00000
  Cd4 Cd 0.76957 0.02264 0.51671 1.00000
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