Rb(ReS2)2
Alexandria ALEXAlex-ID: agm003458998 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_932_spg141
Rb2(ReS2)3 ReS2
2022-02-20 00:43:58.521397
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458998).
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 agm003458998
data_agm003458998
_cell_length_a 6.41346
_cell_length_b 6.41321
_cell_length_c 8.01009
_cell_angle_alpha 113.18168
_cell_angle_beta 113.18170
_cell_angle_gamma 90.95512
_cell_volume 272.60605
_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 0.24999 0.74999 0.50001 1.00000
Rb2 Rb 0.99998 0.00001 0.99999 1.00000
Re1 Re 0.58085 0.36939 0.73657 1.00000
Re2 Re 0.63286 0.84422 0.26346 1.00000
Re3 Re 0.63066 0.41926 0.26346 1.00000
Re4 Re 0.15568 0.36716 0.73659 1.00000
S1 S 0.92989 0.18583 0.36581 1.00000
S2 S 0.28734 0.55228 0.11088 1.00000
S3 S 0.82003 0.56410 0.63418 1.00000
S4 S 0.81413 0.07009 0.63418 1.00000
S5 S 0.43591 0.17997 0.36580 1.00000
S6 S 0.44142 0.17653 0.88914 1.00000
S7 S 0.44768 0.71259 0.88912 1.00000
S8 S 0.82356 0.55857 0.11082 1.00000
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