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Sr3Li7Eu2

Alexandria ALEX

Alex-ID: agm101095989 · Space group: R-3m (#166)

Basic Information

Formula
Sr3Li7Eu2
Alex-ID
agm101095989
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
401.38
ų
Cell a
10.9168
Å
Cell b
10.9168
Å
Cell c
10.9168
Å
α angle
35.97
°
β angle
35.97
°
γ angle
35.97
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr3Li7Eu2
Sr
3.00 · 25.0%
Li
7.00 · 58.3%
Eu
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0641
eV/atom
Formation energy
0.0641
eV/atom
Corrected total energy
-38.2444
eV
Raw total energy
-38.2444
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.4243
Total magnetisation
15.6244
μB

Additional Information

Prototype ID

A2B3C7_3_spg166

Decomposition

Sr Li Eu

Computed at

2025-05-16 23:57:37

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: agm101095989).

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 agm101095989
data_agm101095989
_cell_length_a     10.91684
_cell_length_b     10.91684
_cell_length_c     10.91684
_cell_angle_alpha  35.96664
_cell_angle_beta   35.96664
_cell_angle_gamma  35.96664
_cell_volume       401.37635
_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 0.00000 0.00000 0.00000 1.00000
  Sr2 Sr 0.86376 0.86376 0.86376 1.00000
  Sr3 Sr 0.13624 0.13624 0.13624 1.00000
  Li1 Li 0.50000 0.50000 0.50000 1.00000
  Li2 Li 0.40570 0.40570 0.91233 1.00000
  Li3 Li 0.91233 0.40570 0.40570 1.00000
  Li4 Li 0.40570 0.91233 0.40570 1.00000
  Li5 Li 0.59430 0.59430 0.08767 1.00000
  Li6 Li 0.59430 0.08767 0.59430 1.00000
  Li7 Li 0.08767 0.59430 0.59430 1.00000
  Eu1 Eu 0.66598 0.66598 0.66598 1.00000
  Eu2 Eu 0.33402 0.33402 0.33402 1.00000
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