Rb2CuSnS4
Alexandria ALEXAlex-ID: agm004761663 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_368_spg23
Rb3CuS13 Cu3SnS4 Rb(CuS)3 Rb2SnS3
2023-01-30 15:30:55.638384
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004761663).
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 agm004761663
data_agm004761663
_cell_length_a 7.37763
_cell_length_b 7.37818
_cell_length_c 6.64466
_cell_angle_alpha 123.72215
_cell_angle_beta 123.72157
_cell_angle_gamma 89.99786
_cell_volume 224.01960
_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 0.48586 0.98584 0.97164 1.00000
Rb2 Rb 0.23571 0.23576 0.47154 1.00000
Cu1 Cu 0.73613 0.73615 0.47221 1.00000
Sn1 Sn 0.98588 0.48588 0.97178 1.00000
S1 S 0.69142 0.58392 0.67246 1.00000
S2 S 0.88769 0.49068 0.27091 1.00000
S3 S 0.38320 0.78022 0.27086 1.00000
S4 S 0.98117 0.08861 0.67270 1.00000
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