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Sr4Sn2Ge5

Alexandria ALEX

Alex-ID: agm005663161 · Space group: P2/m (#10)

Basic Information

Formula
Sr4Sn2Ge5
Alex-ID
agm005663161
Elements
3
Sites
11
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
314.01
ų
Cell a
4.8025
Å
Cell b
7.5454
Å
Cell c
8.6725
Å
α angle
92.28
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4Sn2Ge5
Sr
4.00 · 36.4%
Sn
2.00 · 18.2%
Ge
5.00 · 45.5%

Energy & Stability

Energy above hull
0.0975
eV/atom
Formation energy
-0.4389
eV/atom
Corrected total energy
-42.6788
eV
Raw total energy
-42.6788
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0158
eV
DOS at Fermi level
6.0296
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_174_spg10

Decomposition

SrSn SrGe2 Sr3Sn5

Computed at

2023-06-21 14:33:06.592112

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: agm005663161).

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 agm005663161
data_agm005663161
_cell_length_a     4.80245
_cell_length_b     7.54538
_cell_length_c     8.67249
_cell_angle_alpha  92.27805
_cell_angle_beta   90.00001
_cell_angle_gamma  90.00000
_cell_volume       314.01085
_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 0.26248 0.63696 1.00000
  Sr2 Sr 0.50000 0.75495 0.87300 1.00000
  Sr3 Sr 0.50000 0.73752 0.36304 1.00000
  Sr4 Sr 0.50000 0.24505 0.12700 1.00000
  Sn1 Sn 0.00000 0.90881 0.63904 1.00000
  Sn2 Sn 1.00000 0.09119 0.36096 1.00000
  Ge1 Ge 0.00000 0.44871 0.34732 1.00000
  Ge2 Ge 1.00000 0.87745 0.10145 1.00000
  Ge3 Ge 0.00000 0.50000 0.00000 1.00000
  Ge4 Ge 0.00000 0.12255 0.89855 1.00000
  Ge5 Ge 1.00000 0.55129 0.65268 1.00000
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