K2GeB4O11
Alexandria ALEXAlex-ID: agm005223302 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D11_11_spg9
K2GeB4O11
2022-12-13 08:02:04.440615
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005223302).
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
@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…
# CIF generated by HEAS from Alexandria entry agm005223302
data_agm005223302
_cell_length_a 7.01143
_cell_length_b 7.01143
_cell_length_c 12.02262
_cell_angle_alpha 89.54288
_cell_angle_beta 89.54288
_cell_angle_gamma 121.34240
_cell_volume 504.72003
_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 0.44052 0.51576 0.86956 1.00000
K2 K 0.51576 0.44052 0.36956 1.00000
K3 K 0.29822 0.81752 0.62006 1.00000
K4 K 0.81752 0.29822 0.12006 1.00000
Ge1 Ge 0.82027 0.22798 0.79858 1.00000
Ge2 Ge 0.22798 0.82027 0.29858 1.00000
B1 B 0.91375 0.29253 0.56148 1.00000
B2 B 0.29253 0.91375 0.06148 1.00000
B3 B 0.02273 0.35935 0.36413 1.00000
B4 B 0.35935 0.02273 0.86413 1.00000
B5 B 0.91829 0.96289 0.34747 1.00000
B6 B 0.96289 0.91829 0.84747 1.00000
B7 B 0.65161 0.06519 0.41170 1.00000
B8 B 0.06519 0.65161 0.91170 1.00000
O1 O 0.40936 0.98166 0.40551 1.00000
O2 O 0.98166 0.40936 0.90551 1.00000
O3 O 0.07638 0.42574 0.48387 1.00000
O4 O 0.42574 0.07638 0.98387 1.00000
O5 O 0.97116 0.35507 0.67230 1.00000
O6 O 0.35507 0.97116 0.17230 1.00000
O7 O 0.16948 0.54599 0.28788 1.00000
O8 O 0.54599 0.16948 0.78788 1.00000
O9 O 0.08066 0.18362 0.33980 1.00000
O10 O 0.18362 0.08066 0.83980 1.00000
O11 O 0.96442 0.79571 0.32434 1.00000
O12 O 0.79571 0.96442 0.82434 1.00000
O13 O 0.70038 0.88959 0.37728 1.00000
O14 O 0.88959 0.70038 0.87728 1.00000
O15 O 0.70927 0.11476 0.53360 1.00000
O16 O 0.11476 0.70927 0.03360 1.00000
O17 O 0.78558 0.26811 0.34513 1.00000
O18 O 0.26811 0.78558 0.84513 1.00000
O19 O 0.58279 0.60341 0.11806 1.00000
O20 O 0.60341 0.58279 0.61806 1.00000
O21 O 0.80659 0.70754 0.60520 1.00000
O22 O 0.70754 0.80659 0.10520 1.00000
