RbSn2Se
Alexandria ALEXAlex-ID: agm002889618 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_234_spg122
Rb4SnSe4 Sn
2016-12-18 16:22:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002889618).
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 agm002889618
data_agm002889618
_cell_length_a 5.02748
_cell_length_b 5.02748
_cell_length_c 11.54261
_cell_angle_alpha 77.42137
_cell_angle_beta 77.42137
_cell_angle_gamma 90.00000
_cell_volume 277.56459
_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
Se1 Se 0.50000 0.50000 0.00000 1.00000
Se2 Se 0.25000 0.75000 0.50000 1.00000
Sn1 Sn 0.52359 0.12500 0.25000 1.00000
Sn2 Sn 0.22641 0.62500 0.25000 1.00000
Sn3 Sn 0.37500 0.47641 0.75000 1.00000
Sn4 Sn 0.87500 0.77359 0.75000 1.00000
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Rb2 Rb 0.75000 0.25000 0.50000 1.00000
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