Rb2CuS15
Alexandria ALEXAlex-ID: agm018967697 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C15_14_spg9
Rb3CuS13 Rb2CuS16 CuS
2024-10-31 09:40:11.947974
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018967697).
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 agm018967697
data_agm018967697
_cell_length_a 9.00050
_cell_length_b 9.00050
_cell_length_c 15.86554
_cell_angle_alpha 79.82771
_cell_angle_beta 79.82771
_cell_angle_gamma 98.42167
_cell_volume 1224.05144
_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 0.73108 0.83775 0.11374 1.00000
Rb2 Rb 0.83775 0.73108 0.61374 1.00000
Rb3 Rb 0.06024 0.24728 0.38057 1.00000
Rb4 Rb 0.24728 0.06024 0.88057 1.00000
Cu1 Cu 0.13693 0.86088 0.26685 1.00000
Cu2 Cu 0.86088 0.13693 0.76685 1.00000
S1 S 0.34311 0.55838 0.22719 1.00000
S2 S 0.55838 0.34311 0.72719 1.00000
S3 S 0.34448 0.57553 0.09277 1.00000
S4 S 0.57553 0.34448 0.59277 1.00000
S5 S 0.43680 0.15853 0.37811 1.00000
S6 S 0.15853 0.43680 0.87811 1.00000
S7 S 0.34740 0.93260 0.44498 1.00000
S8 S 0.93260 0.34740 0.94498 1.00000
S9 S 0.12841 0.88027 0.43169 1.00000
S10 S 0.88027 0.12841 0.93169 1.00000
S11 S 0.36979 0.77214 0.25104 1.00000
S12 S 0.77214 0.36979 0.75104 1.00000
S13 S 0.13006 0.62732 0.08310 1.00000
S14 S 0.62732 0.13006 0.58310 1.00000
S15 S 0.13231 0.84865 0.09176 1.00000
S16 S 0.84865 0.13231 0.59176 1.00000
S17 S 0.26693 0.11294 0.21339 1.00000
S18 S 0.11294 0.26693 0.71339 1.00000
S19 S 0.47352 0.13535 0.24730 1.00000
S20 S 0.13535 0.47352 0.74730 1.00000
S21 S 0.99985 0.61170 0.30360 1.00000
S22 S 0.61170 0.99985 0.80360 1.00000
S23 S 0.75892 0.90378 0.37556 1.00000
S24 S 0.90378 0.75892 0.87556 1.00000
S25 S 0.83852 0.57521 0.41337 1.00000
S26 S 0.57521 0.83852 0.91337 1.00000
S27 S 0.91608 0.97395 0.26182 1.00000
S28 S 0.97395 0.91608 0.76182 1.00000
S29 S 0.65489 0.67902 0.38228 1.00000
S30 S 0.67902 0.65489 0.88228 1.00000
