Rb2U(BS3)2
Alexandria ALEXAlex-ID: agm004577965 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_0_spg12
RbBS2 US2
2022-06-23 06:24:46.994072
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004577965).
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 agm004577965
data_agm004577965
_cell_length_a 6.74005
_cell_length_b 6.77014
_cell_length_c 8.35462
_cell_angle_alpha 114.14895
_cell_angle_beta 90.00000
_cell_angle_gamma 119.85308
_cell_volume 291.54705
_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 0.70665 0.41331 0.18009 1.00000
Rb2 Rb 0.29335 0.58669 0.81991 1.00000
U1 U 0.50000 0.00000 0.50000 1.00000
B1 B 0.92658 0.85316 0.70688 1.00000
B2 B 0.07342 0.14684 0.29312 1.00000
S1 S 0.75603 0.51205 0.64282 1.00000
S2 S 0.21372 0.96428 0.24626 1.00000
S3 S 0.24945 0.03572 0.75374 1.00000
S4 S 0.78628 0.03572 0.75374 1.00000
S5 S 0.75055 0.96428 0.24626 1.00000
S6 S 0.24397 0.48795 0.35718 1.00000
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