K2BiO3
Alexandria ALEXAlex-ID: agm034898009 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
K2BiO3
2025-03-01 17:43:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034898009).
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 agm034898009
data_agm034898009
_cell_length_a 11.96826
_cell_length_b 11.40706
_cell_length_c 6.43800
_cell_angle_alpha 78.87912
_cell_angle_beta 69.26246
_cell_angle_gamma 31.85842
_cell_volume 423.37875
_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 0.50516 0.50516 0.99484 1.00000
K2 K 0.57953 0.57953 0.42047 1.00000
K3 K 0.67327 0.67327 0.82673 1.00000
K4 K 0.74802 0.74802 0.25198 1.00000
K5 K 0.25516 0.25516 0.74484 1.00000
K6 K 0.82953 0.82953 0.67047 1.00000
K7 K 0.42327 0.42327 0.57673 1.00000
K8 K 0.99802 0.99802 0.50198 1.00000
Bi1 Bi 0.08602 0.08602 0.91398 1.00000
Bi2 Bi 0.16845 0.16845 0.33155 1.00000
Bi3 Bi 0.33602 0.33602 0.16398 1.00000
Bi4 Bi 0.91845 0.91845 0.08155 1.00000
O1 O 0.29236 0.89443 0.12710 1.00000
O2 O 0.89443 0.29236 0.68611 1.00000
O3 O 0.95117 0.35632 0.08257 1.00000
O4 O 0.35632 0.95117 0.60994 1.00000
O5 O 0.44817 0.06593 0.05452 1.00000
O6 O 0.06593 0.44817 0.43138 1.00000
O7 O 0.56389 0.12290 0.35557 1.00000
O8 O 0.12290 0.56389 0.95764 1.00000
O9 O 0.64006 0.16743 0.89368 1.00000
O10 O 0.16743 0.64006 0.29883 1.00000
O11 O 0.81862 0.19548 0.18407 1.00000
O12 O 0.19548 0.81862 0.80183 1.00000
