Rb3SeS4
Alexandria ALEXAlex-ID: agm006091237 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_209_spg12
Rb2Se3 Rb2S3 Rb2S5
2023-10-06 20:29:11.589404
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006091237).
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 agm006091237
data_agm006091237
_cell_length_a 4.70909
_cell_length_b 5.13969
_cell_length_c 11.84654
_cell_angle_alpha 82.74056
_cell_angle_beta 101.46403
_cell_angle_gamma 90.00000
_cell_volume 278.65938
_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
S1 S 0.40505 0.28253 0.81010 1.00000
S2 S 0.59490 0.71542 0.18980 1.00000
S3 S 0.67490 0.84928 0.34981 1.00000
S4 S 0.32436 0.15514 0.64872 1.00000
Se1 Se 0.50004 0.99689 0.00009 1.00000
Rb1 Rb 0.00019 0.49608 0.00037 1.00000
Rb2 Rb 0.17816 0.34241 0.35631 1.00000
Rb3 Rb 0.82240 0.66225 0.64480 1.00000
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