K5BiO4
Alexandria ALEXAlex-ID: agm003658331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_185_spg12
K3BiO3 K2O
2022-04-07 16:28:41.072634
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003658331).
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 agm003658331
data_agm003658331
_cell_length_a 3.84250
_cell_length_b 7.37640
_cell_length_c 8.52942
_cell_angle_alpha 108.58767
_cell_angle_beta 103.01757
_cell_angle_gamma 90.00000
_cell_volume 222.58135
_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 0.15944 0.34922 0.31888 1.00000
K2 K 0.16601 0.89715 0.33202 1.00000
K3 K 0.83399 0.10285 0.66798 1.00000
K4 K 0.50000 0.50000 0.00000 1.00000
K5 K 0.84056 0.65078 0.68112 1.00000
Bi1 Bi 0.50000 0.00000 0.00000 1.00000
O1 O 0.65754 0.12630 0.31507 1.00000
O2 O 0.99842 0.22721 0.99685 1.00000
O3 O 0.34246 0.87370 0.68493 1.00000
O4 O 0.00158 0.77279 0.00315 1.00000
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