K5(GeO3)2

Alexandria ALEX

Alex-ID: agm005672503 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula

K5(GeO3)2

Alex-ID

agm005672503

Elements

Sites

Space group

C2/c (#15)

Crystal system

monoclinic

Volume

547.08

Å³

Cell a

6.5511

Cell b

6.5511

Cell c

14.0379

α angle

80.68

β angle

80.68

γ angle

67.80

Composition

Element Composition (atomic fraction)

Composition Info

Formula

K5(GeO3)2

10.00 · 38.5%

4.00 · 15.4%

12.00 · 46.2%

Energy & Stability

Energy above hull

0.1042

eV/atom

Formation energy

-1.9048

eV/atom

Corrected total energy

-138.5158

Raw total energy

-130.0884

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

4.1821

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

A2B5C6_3_spg15

Decomposition

K2GeO3 K6Ge2O7 Ge

Computed at

2023-06-20 09:20:56.768505

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: agm005672503).

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 | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm005672503
data_agm005672503
_cell_length_a     6.55114
_cell_length_b     6.55114
_cell_length_c     14.03792
_cell_angle_alpha  80.68272
_cell_angle_beta   80.68273
_cell_angle_gamma  67.79668
_cell_volume       547.08365
_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 0.68522 0.21493 0.99831 1.00000
  K2 K 0.78507 0.31478 0.50169 1.00000
  K3 K 0.31478 0.78507 0.00169 1.00000
  K4 K 0.21493 0.68522 0.49831 1.00000
  K5 K 0.77044 0.93066 0.71392 1.00000
  K6 K 0.06934 0.22956 0.78608 1.00000
  K7 K 0.22956 0.06934 0.28608 1.00000
  K8 K 0.93066 0.77044 0.21392 1.00000
  K9 K 0.40012 0.59988 0.75000 1.00000
  K10 K 0.59988 0.40012 0.25000 1.00000
  Ge1 Ge 0.34747 0.10458 0.57320 1.00000
  Ge2 Ge 0.89542 0.65253 0.92680 1.00000
  Ge3 Ge 0.65253 0.89542 0.42680 1.00000
  Ge4 Ge 0.10458 0.34747 0.07320 1.00000
  O1 O 0.11423 0.03143 0.61782 1.00000
  O2 O 0.96857 0.88577 0.88218 1.00000
  O3 O 0.88577 0.96857 0.38218 1.00000
  O4 O 0.03143 0.11423 0.11782 1.00000
  O5 O 0.40302 0.28782 0.63647 1.00000
  O6 O 0.71218 0.59698 0.86353 1.00000
  O7 O 0.59698 0.71218 0.36353 1.00000
  O8 O 0.28782 0.40302 0.13647 1.00000
  O9 O 0.60148 0.83574 0.56321 1.00000
  O10 O 0.16426 0.39852 0.93679 1.00000
  O11 O 0.39852 0.16426 0.43679 1.00000
  O12 O 0.83574 0.60148 0.06321 1.00000

Get direct link