Navigation

HEAS Data Platform · Materials Science Database

Sr3Cd4In7

Alexandria ALEX

Alex-ID: agm005698066 · Space group: C2/m (#12)

Basic Information

Formula
Sr3Cd4In7
Alex-ID
agm005698066
Elements
3
Sites
14
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
392.72
ų
Cell a
4.9242
Å
Cell b
9.3839
Å
Cell c
9.3460
Å
α angle
74.45
°
β angle
74.73
°
γ angle
74.79
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr3Cd4In7
Sr
3.00 · 21.4%
Cd
4.00 · 28.6%
In
7.00 · 50.0%

Energy & Stability

Energy above hull
0.0064
eV/atom
Formation energy
-0.2855
eV/atom
Corrected total energy
-32.1471
eV
Raw total energy
-32.1471
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.4634
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C7_34_spg12

Decomposition

Sr3Cd3In8 SrCd11 SrIn2

Computed at

2023-06-29 18:00:19.151602

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: agm005698066).

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 agm005698066
data_agm005698066
_cell_length_a     4.92416
_cell_length_b     9.38395
_cell_length_c     9.34599
_cell_angle_alpha  74.45229
_cell_angle_beta   74.72590
_cell_angle_gamma  74.78917
_cell_volume       392.72468
_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
  Sr1 Sr 0.30411 0.19342 0.19835 1.00000
  Sr2 Sr 0.69589 0.80658 0.80165 1.00000
  Sr3 Sr 0.00000 0.50000 0.50000 1.00000
  Cd1 Cd 0.65456 0.47122 0.21967 1.00000
  Cd2 Cd 0.34544 0.52878 0.78033 1.00000
  Cd3 Cd 0.85530 0.91831 0.37110 1.00000
  Cd4 Cd 0.14470 0.08169 0.62890 1.00000
  In1 In 0.34275 0.78672 0.52779 1.00000
  In2 In 0.49909 0.19147 0.81034 1.00000
  In3 In 0.85177 0.37548 0.92098 1.00000
  In4 In 0.65725 0.21328 0.47221 1.00000
  In5 In 0.14823 0.62452 0.07902 1.00000
  In6 In 0.00000 0.00000 0.00000 1.00000
  In7 In 0.50091 0.80853 0.18966 1.00000
Get direct link