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Sr2InAg2

Alexandria ALEX

Alex-ID: agm012550414 · Space group: Immm (#71)

Basic Information

Formula
Sr2InAg2
Alex-ID
agm012550414
Elements
3
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
145.99
ų
Cell a
6.2475
Å
Cell b
6.2475
Å
Cell c
6.2475
Å
α angle
135.46
°
β angle
118.32
°
γ angle
79.21
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2InAg2
Sr
2.00 · 40.0%
In
1.00 · 20.0%
Ag
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.3554
eV/atom
Corrected total energy
-13.6282
eV
Raw total energy
-13.6282
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.6538
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_2_spg71

Decomposition

Sr2InAg2

Computed at

2025-04-16 18:10:54

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: agm012550414).

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 agm012550414
data_agm012550414
_cell_length_a     6.24747
_cell_length_b     6.24747
_cell_length_c     6.24747
_cell_angle_alpha  135.46119
_cell_angle_beta   118.32249
_cell_angle_gamma  79.21003
_cell_volume       145.98718
_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 0.20322 0.20322 0.00000 1.00000
  Sr2 Sr 0.79678 0.79678 0.00000 1.00000
  In1 In 0.50000 0.00000 0.50000 1.00000
  Ag1 Ag 0.22441 0.50000 0.72441 1.00000
  Ag2 Ag 0.77559 0.50000 0.27559 1.00000
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