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SrGa8Ni

Alexandria ALEX

Alex-ID: agm071565481 · Space group: P4_332 (#212)

Basic Information

Formula
SrGa8Ni
Alex-ID
agm071565481
Elements
3
Sites
40
Space group
P4_332 (#212)
Crystal system
cubic
Volume
764.52
ų
Cell a
9.1439
Å
Cell b
9.1439
Å
Cell c
9.1439
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrGa8Ni
Sr
4.00 · 10.0%
Ga
32.00 · 80.0%
Ni
4.00 · 10.0%

Energy & Stability

Energy above hull
0.0900
eV/atom
Formation energy
-0.2245
eV/atom
Corrected total energy
-135.8103
eV
Raw total energy
-135.8103
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
18.2024
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC8_325_spg212

Decomposition

Ga5Ni Ga7Ni3 SrGa4

Computed at

2024-09-10 08:51:42.915471

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: agm071565481).

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 agm071565481
data_agm071565481
_cell_length_a     9.14387
_cell_length_b     9.14387
_cell_length_c     9.14387
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       764.52143
_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 0.62500 0.62500 0.62500 1.00000
  Sr2 Sr 0.87500 0.37500 0.12500 1.00000
  Sr3 Sr 0.37500 0.12500 0.87500 1.00000
  Sr4 Sr 0.12500 0.87500 0.37500 1.00000
  Ga1 Ga 0.90078 0.72663 0.12761 1.00000
  Ga2 Ga 0.59922 0.27337 0.62761 1.00000
  Ga3 Ga 0.09922 0.22663 0.37239 1.00000
  Ga4 Ga 0.40078 0.77337 0.87239 1.00000
  Ga5 Ga 0.12761 0.90078 0.72663 1.00000
  Ga6 Ga 0.62761 0.59922 0.27337 1.00000
  Ga7 Ga 0.37239 0.09922 0.22663 1.00000
  Ga8 Ga 0.87239 0.40078 0.77337 1.00000
  Ga9 Ga 0.72663 0.12761 0.90078 1.00000
  Ga10 Ga 0.27337 0.62761 0.59922 1.00000
  Ga11 Ga 0.22663 0.37239 0.09922 1.00000
  Ga12 Ga 0.77337 0.87239 0.40078 1.00000
  Ga13 Ga 0.97663 0.65078 0.62239 1.00000
  Ga14 Ga 0.52337 0.34922 0.12239 1.00000
  Ga15 Ga 0.47663 0.84922 0.37761 1.00000
  Ga16 Ga 0.02337 0.15078 0.87761 1.00000
  Ga17 Ga 0.15078 0.87761 0.02337 1.00000
  Ga18 Ga 0.84922 0.37761 0.47663 1.00000
  Ga19 Ga 0.34922 0.12239 0.52337 1.00000
  Ga20 Ga 0.65078 0.62239 0.97663 1.00000
  Ga21 Ga 0.37761 0.47663 0.84922 1.00000
  Ga22 Ga 0.87761 0.02337 0.15078 1.00000
  Ga23 Ga 0.62239 0.97663 0.65078 1.00000
  Ga24 Ga 0.12239 0.52337 0.34922 1.00000
  Ga25 Ga 0.40913 0.40913 0.40913 1.00000
  Ga26 Ga 0.09087 0.59087 0.90913 1.00000
  Ga27 Ga 0.59087 0.90913 0.09087 1.00000
  Ga28 Ga 0.90913 0.09087 0.59087 1.00000
  Ga29 Ga 0.65913 0.15913 0.34087 1.00000
  Ga30 Ga 0.84087 0.84087 0.84087 1.00000
  Ga31 Ga 0.15913 0.34087 0.65913 1.00000
  Ga32 Ga 0.34087 0.65913 0.15913 1.00000
  Ni1 Ni 0.12500 0.12500 0.12500 1.00000
  Ni2 Ni 0.37500 0.87500 0.62500 1.00000
  Ni3 Ni 0.87500 0.62500 0.37500 1.00000
  Ni4 Ni 0.62500 0.37500 0.87500 1.00000
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