Li4H7RhS3O13
Alexandria ALEXAlex-ID: agm005257520 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D7E13_1_spg146
H18SO12 H10SO8 Li2SO4 Rh17S15 Rh
2023-05-11 08:57:57.723701
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005257520).
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 agm005257520
data_agm005257520
_cell_length_a 6.87435
_cell_length_b 6.87435
_cell_length_c 6.87435
_cell_angle_alpha 76.03855
_cell_angle_beta 76.03855
_cell_angle_gamma 76.03855
_cell_volume 300.11415
_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
Li1 Li 0.81667 0.81667 0.81667 1.00000
Li2 Li 0.02335 0.64593 0.40737 1.00000
Li3 Li 0.64593 0.40737 0.02335 1.00000
Li4 Li 0.40737 0.02335 0.64593 1.00000
H1 H 0.16453 0.08829 0.29978 1.00000
H2 H 0.08829 0.29978 0.16453 1.00000
H3 H 0.29978 0.16453 0.08829 1.00000
H4 H 0.91621 0.97640 0.38820 1.00000
H5 H 0.97640 0.38820 0.91621 1.00000
H6 H 0.38820 0.91621 0.97640 1.00000
H7 H 0.59584 0.59584 0.59584 1.00000
Rh1 Rh 0.01346 0.01346 0.01346 1.00000
S1 S 0.23691 0.59934 0.81146 1.00000
S2 S 0.59934 0.81146 0.23691 1.00000
S3 S 0.81146 0.23691 0.59934 1.00000
O1 O 0.06499 0.63046 0.69088 1.00000
O2 O 0.63046 0.69088 0.06499 1.00000
O3 O 0.69088 0.06499 0.63046 1.00000
O4 O 0.13019 0.70495 0.99754 1.00000
O5 O 0.70495 0.99754 0.13019 1.00000
O6 O 0.99754 0.13019 0.70495 1.00000
O7 O 0.72511 0.67314 0.39827 1.00000
O8 O 0.67314 0.39827 0.72511 1.00000
O9 O 0.39827 0.72511 0.67314 1.00000
O10 O 0.05240 0.92758 0.31011 1.00000
O11 O 0.92758 0.31011 0.05240 1.00000
O12 O 0.31011 0.05240 0.92758 1.00000
O13 O 0.22473 0.22473 0.22473 1.00000
