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Sr3Mg2Ga7

Alexandria ALEX

Alex-ID: agm026372909 · Space group: R-3m (#166)

Basic Information

Formula
Sr3Mg2Ga7
Alex-ID
agm026372909
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
276.36
ų
Cell a
9.6284
Å
Cell b
9.6284
Å
Cell c
9.6284
Å
α angle
36.04
°
β angle
36.04
°
γ angle
36.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr3Mg2Ga7
Sr
3.00 · 25.0%
Mg
2.00 · 16.7%
Ga
7.00 · 58.3%

Energy & Stability

Energy above hull
0.0518
eV/atom
Formation energy
-0.3736
eV/atom
Corrected total energy
-33.9467
eV
Raw total energy
-33.9467
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.2928
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_153_spg166

Decomposition

SrMgGa3 Sr(MgGa)2 SrGa2

Computed at

2025-05-17 00:08:39

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: agm026372909).

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 agm026372909
data_agm026372909
_cell_length_a     9.62836
_cell_length_b     9.62836
_cell_length_c     9.62836
_cell_angle_alpha  36.03860
_cell_angle_beta   36.03860
_cell_angle_gamma  36.03860
_cell_volume       276.35872
_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 0.13998 0.13998 0.13998 1.00000
  Sr3 Sr 0.86002 0.86002 0.86002 1.00000
  Mg1 Mg 0.33581 0.33581 0.33581 1.00000
  Mg2 Mg 0.66419 0.66419 0.66419 1.00000
  Ga1 Ga 0.50000 0.50000 0.50000 1.00000
  Ga2 Ga 0.07393 0.58907 0.58907 1.00000
  Ga3 Ga 0.58907 0.58907 0.07393 1.00000
  Ga4 Ga 0.58907 0.07393 0.58907 1.00000
  Ga5 Ga 0.92607 0.41093 0.41093 1.00000
  Ga6 Ga 0.41093 0.92607 0.41093 1.00000
  Ga7 Ga 0.41093 0.41093 0.92607 1.00000
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