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Sr2AgSb2

Alexandria ALEX

Alex-ID: agm003403256 · Space group: C2/m (#12)

Basic Information

Formula
Sr2AgSb2
Alex-ID
agm003403256
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
321.07
ų
Cell a
4.7236
Å
Cell b
6.6104
Å
Cell c
11.3418
Å
α angle
79.25
°
β angle
77.98
°
γ angle
69.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2AgSb2
Sr
4.00 · 40.0%
Ag
2.00 · 20.0%
Sb
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0825
eV/atom
Formation energy
-0.7527
eV/atom
Corrected total energy
-36.4766
eV
Raw total energy
-36.4766
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0455
eV
DOS at Fermi level
0.9156
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_1401_spg12

Decomposition

SrAgSb SrSb

Computed at

2022-02-12 00:29:54.117977

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: agm003403256).

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 agm003403256
data_agm003403256
_cell_length_a     4.72363
_cell_length_b     6.61036
_cell_length_c     11.34175
_cell_angle_alpha  79.24623
_cell_angle_beta   77.98071
_cell_angle_gamma  69.06614
_cell_volume       321.06948
_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 0.68841 0.27520 0.34798 1.00000
  Sr2 Sr 0.92110 0.25624 0.90156 1.00000
  Sr3 Sr 0.31159 0.72480 0.65202 1.00000
  Sr4 Sr 0.07890 0.74376 0.09844 1.00000
  Ag1 Ag 0.58802 0.14174 0.68222 1.00000
  Ag2 Ag 0.41198 0.85826 0.31778 1.00000
  Sb1 Sb 0.06058 0.29812 0.58073 1.00000
  Sb2 Sb 0.66545 0.80203 0.86708 1.00000
  Sb3 Sb 0.93942 0.70188 0.41927 1.00000
  Sb4 Sb 0.33455 0.19797 0.13292 1.00000
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