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Sr4AgF10

Alexandria ALEX

Alex-ID: agm005995749 · Space group: R-3m (#166)

Basic Information

Formula
Sr4AgF10
Alex-ID
agm005995749
Elements
3
Sites
15
Space group
R-3m (#166)
Crystal system
trigonal
Volume
242.73
ų
Cell a
4.1182
Å
Cell b
4.1182
Å
Cell c
16.6962
Å
α angle
82.92
°
β angle
82.92
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4AgF10
Sr
4.00 · 26.7%
Ag
1.00 · 6.7%
F
10.00 · 66.7%

Energy & Stability

Energy above hull
0.0446
eV/atom
Formation energy
-3.6486
eV/atom
Corrected total energy
-78.5433
eV
Raw total energy
-78.5433
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.4741
Total magnetisation
1.0250
μB

Additional Information

Prototype ID

AB4C10_8_spg166

Decomposition

SrAgF4 SrF2

Computed at

2023-08-08 04:00:44.966170

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: agm005995749).

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 agm005995749
data_agm005995749
_cell_length_a     4.11824
_cell_length_b     4.11824
_cell_length_c     16.69615
_cell_angle_alpha  82.91572
_cell_angle_beta   82.91573
_cell_angle_gamma  60.00000
_cell_volume       242.72878
_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 0.39698 0.39698 0.80905 1.00000
  Sr2 Sr 0.79904 0.79904 0.60290 1.00000
  Sr3 Sr 0.20096 0.20096 0.39710 1.00000
  Sr4 Sr 0.60302 0.60302 0.19095 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
  F1 F 0.95304 0.95304 0.14088 1.00000
  F2 F 0.14964 0.14964 0.55108 1.00000
  F3 F 0.55158 0.55158 0.34525 1.00000
  F4 F 0.34634 0.34634 0.96098 1.00000
  F5 F 0.74769 0.74769 0.75692 1.00000
  F6 F 0.65366 0.65366 0.03902 1.00000
  F7 F 0.85036 0.85036 0.44892 1.00000
  F8 F 0.25231 0.25231 0.24308 1.00000
  F9 F 0.04696 0.04696 0.85912 1.00000
  F10 F 0.44842 0.44842 0.65475 1.00000
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