K2SnBiO
Alexandria ALEXAlex-ID: agm005000855 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1956_spg11
K2Sn2O3 K2SnBi K2SnO2 KBi2
2022-07-04 23:18:22.482527
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005000855).
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 agm005000855
data_agm005000855
_cell_length_a 4.21065
_cell_length_b 7.89286
_cell_length_c 9.62433
_cell_angle_alpha 117.16325
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 284.57811
_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 0.75000 0.70020 0.65729 1.00000
K2 K 0.75000 0.89617 0.08460 1.00000
K3 K 0.25000 0.29980 0.34271 1.00000
K4 K 0.25000 0.10383 0.91540 1.00000
Sn1 Sn 0.25000 0.48157 0.85537 1.00000
Sn2 Sn 0.75000 0.51843 0.14463 1.00000
Bi1 Bi 0.25000 0.81368 0.37754 1.00000
Bi2 Bi 0.75000 0.18632 0.62246 1.00000
O1 O 0.25000 0.74355 0.86214 1.00000
O2 O 0.75000 0.25645 0.13786 1.00000
Get direct link