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Sr4Li2Ge

Alexandria ALEX

Alex-ID: agm096545962 · Space group: P2/m (#10)

Basic Information

Formula
Sr4Li2Ge
Alex-ID
agm096545962
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
268.80
ų
Cell a
4.9125
Å
Cell b
5.5578
Å
Cell c
9.8453
Å
α angle
90.09
°
β angle
90.01
°
γ angle
90.10
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4Li2Ge
Sr
4.00 · 57.1%
Li
2.00 · 28.6%
Ge
1.00 · 14.3%

Energy & Stability

Energy above hull
0.1359
eV/atom
Formation energy
-0.1054
eV/atom
Corrected total energy
-15.9408
eV
Raw total energy
-15.9408
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0464
eV
DOS at Fermi level
5.9335
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB2C4_6191_spg25

Decomposition

SrLi2Ge Sr

Computed at

2025-04-10 21:03:53

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: agm096545962).

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 agm096545962
data_agm096545962
_cell_length_a     4.91251
_cell_length_b     5.55776
_cell_length_c     9.84534
_cell_angle_alpha  90.08861
_cell_angle_beta   90.00807
_cell_angle_gamma  90.09991
_cell_volume       268.80206
_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 0.28318 0.49921 0.84210 1.00000
  Sr2 Sr 0.28091 0.00123 0.32306 1.00000
  Sr3 Sr 0.71909 0.99877 0.67694 1.00000
  Sr4 Sr 0.71682 0.50079 0.15790 1.00000
  Li1 Li 0.00000 0.00000 0.00000 1.00000
  Li2 Li 0.00000 0.50000 0.50000 1.00000
  Ge1 Ge 0.50000 0.00000 0.00000 1.00000
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