Cs2(KSn)3
Alexandria ALEXAlex-ID: agm010069640 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_1466_spg15
KSn K CsSn
2024-03-27 12:13:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010069640).
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
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# CIF generated by HEAS from Alexandria entry agm010069640
data_agm010069640
_cell_length_a 7.94109
_cell_length_b 7.94109
_cell_length_c 15.73399
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 131.74651
_cell_volume 740.27758
_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
Cs1 Cs 0.75369 0.24631 0.08873 1.00000
Cs2 Cs 0.24631 0.75369 0.58873 1.00000
Cs3 Cs 0.75369 0.24631 0.41127 1.00000
Cs4 Cs 0.24631 0.75369 0.91127 1.00000
K1 K 0.53865 0.46135 0.62458 1.00000
K2 K 0.46135 0.53865 0.12458 1.00000
K3 K 0.53865 0.46135 0.87542 1.00000
K4 K 0.46135 0.53865 0.37542 1.00000
K5 K 0.79755 0.20245 0.75000 1.00000
K6 K 0.20245 0.79755 0.25000 1.00000
Sn1 Sn 0.94239 0.05761 0.57764 1.00000
Sn2 Sn 0.05761 0.94239 0.07764 1.00000
Sn3 Sn 0.94239 0.05761 0.92236 1.00000
Sn4 Sn 0.05761 0.94239 0.42236 1.00000
Sn5 Sn 0.05538 0.94462 0.75000 1.00000
Sn6 Sn 0.94462 0.05538 0.25000 1.00000
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