KRe2Sn9
Alexandria ALEXAlex-ID: agm044822892 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_94_spg191
K4Sn23 Sn Re
2025-05-19 20:58:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044822892).
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 agm044822892
data_agm044822892
_cell_length_a 9.12538
_cell_length_b 9.12538
_cell_length_c 4.56884
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 329.48684
_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 0.00000 0.00000 0.00000 1.00000
Re1 Re 0.66667 0.33333 0.00000 1.00000
Re2 Re 0.33333 0.66667 0.00000 1.00000
Sn1 Sn 0.78858 0.21142 0.50000 1.00000
Sn2 Sn 0.50000 0.00000 0.00000 1.00000
Sn3 Sn 0.50000 0.50000 0.00000 1.00000
Sn4 Sn 0.42284 0.21142 0.50000 1.00000
Sn5 Sn 0.21142 0.78858 0.50000 1.00000
Sn6 Sn 0.21142 0.42284 0.50000 1.00000
Sn7 Sn 0.57716 0.78858 0.50000 1.00000
Sn8 Sn 0.00000 0.50000 0.00000 1.00000
Sn9 Sn 0.78858 0.57716 0.50000 1.00000
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