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K(Sr2Ag)4

Alexandria ALEX

Alex-ID: agm098002272 · Space group: Amm2 (#38)

Basic Information

Formula
K(Sr2Ag)4
Alex-ID
agm098002272
Elements
3
Sites
13
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
528.04
ų
Cell a
12.1225
Å
Cell b
4.3375
Å
Cell c
11.3715
Å
α angle
90.00
°
β angle
117.98
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
K(Sr2Ag)4
K
1.00 · 7.7%
Sr
8.00 · 61.5%
Ag
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0534
eV/atom
Formation energy
-0.1514
eV/atom
Corrected total energy
-27.9916
eV
Raw total energy
-27.9916
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.8621
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB4C8_1735_spg6

Decomposition

Sr3Ag2 Sr7Ag3 K

Computed at

2025-06-16 07:53:02

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: agm098002272).

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 agm098002272
data_agm098002272
_cell_length_a     12.12250
_cell_length_b     4.33751
_cell_length_c     11.37155
_cell_angle_alpha  90.00000
_cell_angle_beta   117.98048
_cell_angle_gamma  90.00000
_cell_volume       528.03813
_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 0.84605 0.00000 0.98682 1.00000
  Sr1 Sr 0.84614 0.50000 0.31891 1.00000
  Sr2 Sr 0.27923 0.00000 0.02077 1.00000
  Sr3 Sr 0.41313 0.00000 0.58754 1.00000
  Sr4 Sr 0.84620 0.00000 0.65565 1.00000
  Sr5 Sr 0.15587 0.50000 0.25288 1.00000
  Sr6 Sr 0.53769 0.50000 0.35895 1.00000
  Sr7 Sr 0.53632 0.50000 0.94316 1.00000
  Sr8 Sr 0.15474 0.50000 0.66748 1.00000
  Ag1 Ag 0.04518 0.50000 0.89837 1.00000
  Ag2 Ag 0.60701 0.00000 0.18543 1.00000
  Ag3 Ag 0.64729 0.50000 0.69953 1.00000
  Ag4 Ag 0.08515 0.00000 0.42450 1.00000
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