Rb2Sc3Cu5S8
Alexandria ALEXAlex-ID: agm009488764 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5D8_1_spg8
RbSc3S5 RbCu3S2 ScCuS2
2024-04-11 00:50:52.081839
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009488764).
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 agm009488764
data_agm009488764
_cell_length_a 7.11978
_cell_length_b 7.11978
_cell_length_c 14.12682
_cell_angle_alpha 69.20642
_cell_angle_beta 69.20642
_cell_angle_gamma 31.36409
_cell_volume 346.45231
_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 0.00611 0.00611 0.99897 1.00000
Rb2 Rb 0.36071 0.36071 0.42101 1.00000
Sc1 Sc 0.03523 0.03523 0.59227 1.00000
Sc2 Sc 0.33396 0.33396 0.82712 1.00000
Sc3 Sc 0.19961 0.19961 0.21244 1.00000
Cu1 Cu 0.72050 0.72050 0.01506 1.00000
Cu2 Cu 0.65425 0.65425 0.40215 1.00000
Cu3 Cu 0.98396 0.98396 0.22244 1.00000
Cu4 Cu 0.78650 0.78650 0.66321 1.00000
Cu5 Cu 0.58320 0.58320 0.75570 1.00000
S1 S 0.57811 0.57811 0.17157 1.00000
S2 S 0.31028 0.31028 0.01605 1.00000
S3 S 0.69952 0.69952 0.84669 1.00000
S4 S 0.80728 0.80728 0.25183 1.00000
S5 S 0.06296 0.06296 0.39992 1.00000
S6 S 0.66981 0.66981 0.57194 1.00000
S7 S 0.38986 0.38986 0.63039 1.00000
S8 S 0.98026 0.98026 0.78776 1.00000
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