K3SnO4
Alexandria ALEXAlex-ID: agm003558985 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_197_spg44
K2O3 K4SnO4 K2SnO3
2022-03-22 21:29:38.888441
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003558985).
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 agm003558985
data_agm003558985
_cell_length_a 6.47666
_cell_length_b 6.47666
_cell_length_c 6.47666
_cell_angle_alpha 95.38841
_cell_angle_beta 115.85359
_cell_angle_gamma 118.03561
_cell_volume 199.93842
_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 0.51508 0.22361 0.73869 1.00000
K2 K 0.08019 0.00000 0.08019 1.00000
K3 K 0.51508 0.77639 0.29146 1.00000
Sn1 Sn 0.01088 0.50000 0.51088 1.00000
O1 O 0.15745 0.69565 0.85310 1.00000
O2 O 0.15745 0.30435 0.46180 1.00000
O3 O 0.60670 0.24927 0.35743 1.00000
O4 O 0.10816 0.75073 0.35743 1.00000
Get direct link