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Cd5In7

Alexandria ALEX

Alex-ID: agm003293182 · Space group: C2/m (#12)

Basic Information

Formula
Cd5In7
Alex-ID
agm003293182
Elements
2
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
310.10
ų
Cell a
3.2439
Å
Cell b
7.9848
Å
Cell c
12.2989
Å
α angle
83.93
°
β angle
90.00
°
γ angle
101.72
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cd5In7
Cd
5.00 · 41.7%
In
7.00 · 58.3%

Energy & Stability

Energy above hull
0.0675
eV/atom
Formation energy
0.0625
eV/atom
Corrected total energy
-23.2556
eV
Raw total energy
-23.2556
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.5841
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B7_89_spg12

Decomposition

Cd4In3 CdIn6

Computed at

2022-01-17 04:52:39.383922

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: agm003293182).

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 agm003293182
data_agm003293182
_cell_length_a     3.24392
_cell_length_b     7.98484
_cell_length_c     12.29892
_cell_angle_alpha  83.92549
_cell_angle_beta   90.00000
_cell_angle_gamma  101.72003
_cell_volume       310.10016
_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
  Cd1 Cd 0.16821 0.33642 0.33893 1.00000
  Cd2 Cd 0.83179 0.66358 0.66107 1.00000
  Cd3 Cd 0.34204 0.68407 0.15191 1.00000
  Cd4 Cd 0.65796 0.31593 0.84809 1.00000
  Cd5 Cd 0.00000 0.00000 0.00000 1.00000
  In1 In 0.17332 0.34665 0.59425 1.00000
  In2 In 0.82668 0.65335 0.40575 1.00000
  In3 In 0.99689 0.99377 0.24819 1.00000
  In4 In 0.00311 0.00623 0.75181 1.00000
  In5 In 0.66898 0.33796 0.10230 1.00000
  In6 In 0.50000 0.00000 0.50000 1.00000
  In7 In 0.33102 0.66204 0.89770 1.00000
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