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Sr5Ga2

Alexandria ALEX

Alex-ID: agm007803473 · Space group: Ibam (#72)

Basic Information

Formula
Sr5Ga2
Alex-ID
agm007803473
Elements
2
Sites
14
Space group
Ibam (#72)
Crystal system
orthorhombic
Volume
528.92
ų
Cell a
10.1851
Å
Cell b
10.1851
Å
Cell c
10.1851
Å
α angle
136.00
°
β angle
132.94
°
γ angle
66.39
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr5Ga2
Sr
10.00 · 71.4%
Ga
4.00 · 28.6%

Energy & Stability

Energy above hull
0.0364
eV/atom
Formation energy
-0.2077
eV/atom
Corrected total energy
-31.9201
eV
Raw total energy
-31.9201
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0276
eV
DOS at Fermi level
8.2716
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5_492_spg72

Decomposition

Sr8Ga7 Sr

Computed at

2024-05-09 16:36:46.468555

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: agm007803473).

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 agm007803473
data_agm007803473
_cell_length_a     10.18510
_cell_length_b     10.18510
_cell_length_c     10.18510
_cell_angle_alpha  135.99708
_cell_angle_beta   132.94331
_cell_angle_gamma  66.38563
_cell_volume       528.92101
_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 0.22235 0.08384 0.13851 1.00000
  Sr2 Sr 0.77765 0.91616 0.86149 1.00000
  Sr3 Sr 0.94533 0.58384 0.36149 1.00000
  Sr4 Sr 0.05467 0.41616 0.63851 1.00000
  Sr5 Sr 0.72772 0.47772 0.75000 1.00000
  Sr6 Sr 0.27228 0.02228 0.75000 1.00000
  Sr7 Sr 0.27228 0.52228 0.25000 1.00000
  Sr8 Sr 0.72772 0.97772 0.25000 1.00000
  Sr9 Sr 0.50000 0.75000 0.25000 1.00000
  Sr10 Sr 0.50000 0.25000 0.75000 1.00000
  Ga1 Ga 0.62728 0.38002 0.24726 1.00000
  Ga2 Ga 0.37272 0.61998 0.75274 1.00000
  Ga3 Ga 0.13276 0.88002 0.25274 1.00000
  Ga4 Ga 0.86724 0.11998 0.74726 1.00000
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