K2RbSn6
Alexandria ALEXAlex-ID: agm003501966 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_301_spg71
RbSn2 K4Sn9 RbSn
2022-02-27 20:10:35.972376
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003501966).
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 agm003501966
data_agm003501966
_cell_length_a 4.56661
_cell_length_b 9.08930
_cell_length_c 9.08930
_cell_angle_alpha 85.96688
_cell_angle_beta 75.46473
_cell_angle_gamma 75.46473
_cell_volume 353.49748
_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 0.18152 0.31797 0.31797 1.00000
K2 K 0.81848 0.68203 0.68203 1.00000
Rb1 Rb 1.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.32386 0.94801 0.40412 1.00000
Sn2 Sn 0.67614 0.05200 0.59588 1.00000
Sn3 Sn 0.67614 0.59588 0.05200 1.00000
Sn4 Sn 0.50000 0.37807 0.62193 1.00000
Sn5 Sn 0.50000 0.62193 0.37807 1.00000
Sn6 Sn 0.32386 0.40412 0.94801 1.00000
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