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K9O2

Alexandria ALEX

Alex-ID: agm007757794 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula
K9O2
Alex-ID
agm007757794
Elements
2
Sites
22
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
1,114.90
ų
Cell a
7.8234
Å
Cell b
13.2080
Å
Cell c
11.1180
Å
α angle
90.00
°
β angle
103.96
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
K9O2
K
18.00 · 81.8%
O
4.00 · 18.2%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.7054
eV/atom
Corrected total energy
-55.1907
eV
Raw total energy
-52.3815
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0105
eV
DOS at Fermi level
10.5150
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A2B9_4_spg11

Decomposition

K9O2

Computed at

2025-01-18 22:05:04

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: agm007757794).

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 agm007757794
data_agm007757794
_cell_length_a     7.82338
_cell_length_b     13.20804
_cell_length_c     11.11802
_cell_angle_alpha  90.00000
_cell_angle_beta   103.96272
_cell_angle_gamma  90.00000
_cell_volume       1114.89628
_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 0.10374 0.89209 0.36340 1.00000
  K2 K 0.89626 0.39209 0.63660 1.00000
  K3 K 0.89626 0.10791 0.63660 1.00000
  K4 K 0.10374 0.60791 0.36340 1.00000
  K5 K 0.23038 0.89286 0.96401 1.00000
  K6 K 0.76962 0.39286 0.03599 1.00000
  K7 K 0.76962 0.10714 0.03599 1.00000
  K8 K 0.23038 0.60714 0.96401 1.00000
  K9 K 0.44134 0.87831 0.68244 1.00000
  K10 K 0.55866 0.37831 0.31756 1.00000
  K11 K 0.55866 0.12169 0.31756 1.00000
  K12 K 0.44134 0.62169 0.68244 1.00000
  K13 K 0.52844 0.75000 0.38882 1.00000
  K14 K 0.47156 0.25000 0.61118 1.00000
  K15 K 0.66091 0.75000 0.99488 1.00000
  K16 K 0.33909 0.25000 0.00512 1.00000
  K17 K 0.06140 0.75000 0.65875 1.00000
  K18 K 0.93860 0.25000 0.34125 1.00000
  O1 O 0.27611 0.75000 0.50158 1.00000
  O2 O 0.72389 0.25000 0.49842 1.00000
  O3 O 0.34986 0.75000 0.84729 1.00000
  O4 O 0.65014 0.25000 0.15271 1.00000
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