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K(Ag2Sb)2

Alexandria ALEX

Alex-ID: agm095995124 · Space group: P2/m (#10)

Basic Information

Formula
K(Ag2Sb)2
Alex-ID
agm095995124
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
172.64
ų
Cell a
3.5427
Å
Cell b
6.8792
Å
Cell c
7.0854
Å
α angle
88.80
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
K(Ag2Sb)2
K
1.00 · 14.3%
Ag
4.00 · 57.1%
Sb
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1003
eV/atom
Formation energy
-0.0465
eV/atom
Corrected total energy
-21.0772
eV
Raw total energy
-21.0772
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.2267
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_6206_spg25

Decomposition

K(AgSb)2 Ag

Computed at

2025-04-10 20:37:01

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: agm095995124).

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 agm095995124
data_agm095995124
_cell_length_a     3.54267
_cell_length_b     6.87922
_cell_length_c     7.08540
_cell_angle_alpha  88.79864
_cell_angle_beta   89.99926
_cell_angle_gamma  90.00206
_cell_volume       172.63869
_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 0.57463 0.14285 0.99999 1.00000
  Ag1 Ag 0.57100 0.77060 0.68770 1.00000
  Ag2 Ag 0.07085 0.84712 0.35480 1.00000
  Ag3 Ag 0.07082 0.43853 0.64526 1.00000
  Ag4 Ag 0.57091 0.51513 0.31228 1.00000
  Sb1 Sb 0.07139 0.64289 0.99999 1.00000
  Sb2 Sb 0.57039 0.14288 0.49997 1.00000
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