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Sr3In5

Alexandria ALEX

Alex-ID: agm005491300 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Sr3In5
Alex-ID
agm005491300
Elements
2
Sites
8
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
252.88
ų
Cell a
6.9727
Å
Cell b
6.9727
Å
Cell c
5.3242
Å
α angle
90.00
°
β angle
90.00
°
γ angle
102.34
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr3In5
Sr
3.00 · 37.5%
In
5.00 · 62.5%

Energy & Stability

Energy above hull
0.1281
eV/atom
Formation energy
-0.3059
eV/atom
Corrected total energy
-21.3639
eV
Raw total energy
-21.3639
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.4174
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B5_196_spg65

Decomposition

Sr3In5

Computed at

2023-03-19 04:31:03.403298

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: agm005491300).

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 agm005491300
data_agm005491300
_cell_length_a     6.97271
_cell_length_b     6.97271
_cell_length_c     5.32424
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  102.33545
_cell_volume       252.88131
_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 0.50000 0.50000 0.00000 1.00000
  Sr2 Sr 0.77020 0.22980 0.50000 1.00000
  Sr3 Sr 0.22980 0.77020 0.50000 1.00000
  In1 In 0.00000 0.00000 0.00000 1.00000
  In2 In 0.00000 0.50000 0.00000 1.00000
  In3 In 0.50000 0.00000 0.00000 1.00000
  In4 In 0.25939 0.25939 0.50000 1.00000
  In5 In 0.74061 0.74061 0.50000 1.00000
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