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K4Sr8Ga

Alexandria ALEX

Alex-ID: agm098008707 · Space group: Cm (#8)

Basic Information

Formula
K4Sr8Ga
Alex-ID
agm098008707
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
743.72
ų
Cell a
7.8464
Å
Cell b
11.6739
Å
Cell c
11.6744
Å
α angle
44.07
°
β angle
89.81
°
γ angle
89.80
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
K4Sr8Ga
K
4.00 · 30.8%
Sr
8.00 · 61.5%
Ga
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1168
eV/atom
Formation energy
0.0511
eV/atom
Corrected total energy
-20.2901
eV
Raw total energy
-20.2901
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.4120
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_791_spg191

Decomposition

Sr8Ga7 K Sr

Computed at

2025-06-16 06:47:32

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: agm098008707).

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 agm098008707
data_agm098008707
_cell_length_a     7.84638
_cell_length_b     11.67393
_cell_length_c     11.67436
_cell_angle_alpha  44.06664
_cell_angle_beta   89.80632
_cell_angle_gamma  89.80381
_cell_volume       743.72170
_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
  K1 K 0.07116 0.95315 0.95315 1.00000
  K2 K 0.93073 0.53680 0.03740 1.00000
  K3 K 0.08872 0.45701 0.45704 1.00000
  K4 K 0.93072 0.03742 0.53676 1.00000
  Sr1 Sr 0.75703 0.12032 0.12024 1.00000
  Sr2 Sr 0.57786 0.70150 0.20987 1.00000
  Sr3 Sr 0.74179 0.62060 0.62051 1.00000
  Sr4 Sr 0.57786 0.20984 0.70155 1.00000
  Sr5 Sr 0.26172 0.87099 0.37976 1.00000
  Sr6 Sr 0.43814 0.28385 0.28390 1.00000
  Sr7 Sr 0.26173 0.37977 0.87100 1.00000
  Sr8 Sr 0.43828 0.78740 0.78748 1.00000
  Ga1 Ga 0.42425 0.04133 0.04136 1.00000
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