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Na8SrLi4

Alexandria ALEX

Alex-ID: agm097804269 · Space group: Cm (#8)

Basic Information

Formula
Na8SrLi4
Alex-ID
agm097804269
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
435.43
ų
Cell a
3.7022
Å
Cell b
11.6254
Å
Cell c
11.8231
Å
α angle
60.48
°
β angle
81.18
°
γ angle
80.78
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Na8SrLi4
Na
8.00 · 61.5%
Sr
1.00 · 7.7%
Li
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0619
eV/atom
Formation energy
0.0619
eV/atom
Corrected total energy
-19.0918
eV
Raw total energy
-19.0918
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0410
eV
DOS at Fermi level
6.6949
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1509_spg8

Decomposition

Na Sr Li

Computed at

2025-06-16 11:06:28

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: agm097804269).

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 agm097804269
data_agm097804269
_cell_length_a     3.70223
_cell_length_b     11.62545
_cell_length_c     11.82311
_cell_angle_alpha  60.47659
_cell_angle_beta   81.18273
_cell_angle_gamma  80.77504
_cell_volume       435.42860
_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
  Na1 Na 0.24785 0.28687 0.15249 1.00000
  Na2 Na 0.58089 0.46740 0.30179 1.00000
  Na3 Na 0.27589 0.76956 0.61491 1.00000
  Na4 Na 0.50164 0.27208 0.64800 1.00000
  Na5 Na 0.42619 0.78667 0.28285 1.00000
  Na6 Na 0.14941 0.12365 0.49287 1.00000
  Na7 Na 0.32212 0.43963 0.81612 1.00000
  Na8 Na 0.60653 0.91111 0.80327 1.00000
  Sr1 Sr 0.92507 0.08405 0.99162 1.00000
  Li1 Li 0.06292 0.72520 0.07241 1.00000
  Li2 Li 0.68799 0.58161 0.96069 1.00000
  Li3 Li 0.91985 0.55664 0.52497 1.00000
  Li4 Li 0.79365 0.99552 0.33800 1.00000
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