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K8Na4Ag

Alexandria ALEX

Alex-ID: agm097344673 · Space group: Cm (#8)

Basic Information

Formula
K8Na4Ag
Alex-ID
agm097344673
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
716.23
ų
Cell a
4.5865
Å
Cell b
14.2136
Å
Cell c
12.1956
Å
α angle
64.58
°
β angle
89.97
°
γ angle
86.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
K8Na4Ag
K
8.00 · 61.5%
Na
4.00 · 30.8%
Ag
1.00 · 7.7%

Energy & Stability

Energy above hull
0.0483
eV/atom
Formation energy
0.0375
eV/atom
Corrected total energy
-16.4573
eV
Raw total energy
-16.4573
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.1665
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1756_spg8

Decomposition

KNa2 NaAg2 K

Computed at

2025-06-16 21:20:18

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: agm097344673).

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 agm097344673
data_agm097344673
_cell_length_a     4.58649
_cell_length_b     14.21360
_cell_length_c     12.19565
_cell_angle_alpha  64.57617
_cell_angle_beta   89.96784
_cell_angle_gamma  86.30507
_cell_volume       716.22945
_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 0.12060 0.16042 0.12526 1.00000
  K2 K 0.48332 0.63388 0.18324 1.00000
  K3 K 0.24950 0.67198 0.66250 1.00000
  K4 K 0.12065 0.15963 0.71598 1.00000
  K5 K 0.69225 0.86041 0.32389 1.00000
  K6 K 0.58302 0.29677 0.35193 1.00000
  K7 K 0.58975 0.36583 0.81720 1.00000
  K8 K 0.69187 0.85855 0.81570 1.00000
  Na1 Na 0.15462 0.92274 0.03805 1.00000
  Na2 Na 0.01653 0.49222 0.01580 1.00000
  Na3 Na 0.01461 0.49133 0.49162 1.00000
  Na4 Na 0.15387 0.00600 0.49773 1.00000
  Ag1 Ag 0.62940 0.08024 0.96111 1.00000
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