Rb3Sn2Se3
Alexandria ALEXAlex-ID: agm010000008 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_179_spg11
Rb4SnSe4 Sn
2024-04-19 19:22:41.364013
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010000008).
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 agm010000008
data_agm010000008
_cell_length_a 14.72429
_cell_length_b 6.46628
_cell_length_c 7.17486
_cell_angle_alpha 70.41091
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 643.59002
_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 0.56211 0.77759 0.27073 1.00000
Rb2 Rb 0.06211 0.22241 0.72927 1.00000
Rb3 Rb 0.93789 0.77759 0.27073 1.00000
Rb4 Rb 0.43789 0.22241 0.72927 1.00000
Rb5 Rb 0.75000 0.02544 0.68159 1.00000
Rb6 Rb 0.25000 0.97456 0.31841 1.00000
Sn1 Sn 0.13856 0.62399 0.02634 1.00000
Sn2 Sn 0.63856 0.37601 0.97366 1.00000
Sn3 Sn 0.36144 0.62399 0.02634 1.00000
Sn4 Sn 0.86144 0.37601 0.97366 1.00000
Se1 Se 0.55116 0.73187 0.76651 1.00000
Se2 Se 0.05116 0.26813 0.23349 1.00000
Se3 Se 0.94884 0.73187 0.76651 1.00000
Se4 Se 0.44884 0.26813 0.23349 1.00000
Se5 Se 0.75000 0.48851 0.22943 1.00000
Se6 Se 0.25000 0.51149 0.77057 1.00000
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