Rb3Zn3Sn8
Alexandria ALEXAlex-ID: agm005686746 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
RbSn2 Rb4Sn23 Zn
2023-06-29 12:27:37.911408
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686746).
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 agm005686746
data_agm005686746
_cell_length_a 4.56012
_cell_length_b 9.71558
_cell_length_c 11.65782
_cell_angle_alpha 62.63050
_cell_angle_beta 78.72128
_cell_angle_gamma 76.42721
_cell_volume 443.55828
_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
Rb1 Rb 0.28369 0.75582 0.67680 1.00000
Rb2 Rb 0.71631 0.24418 0.32320 1.00000
Rb3 Rb 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.00000 0.50000 0.50000 1.00000
Zn2 Zn 0.66559 0.71995 0.94887 1.00000
Zn3 Zn 0.33441 0.28005 0.05113 1.00000
Sn1 Sn 0.11129 0.18865 0.58878 1.00000
Sn2 Sn 0.88871 0.81136 0.41122 1.00000
Sn3 Sn 0.82135 0.43999 0.91731 1.00000
Sn4 Sn 0.17865 0.56001 0.08269 1.00000
Sn5 Sn 0.54088 0.65429 0.26396 1.00000
Sn6 Sn 0.45912 0.34571 0.73604 1.00000
Sn7 Sn 0.38943 0.97370 0.24745 1.00000
Sn8 Sn 0.61057 0.02630 0.75255 1.00000
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