SrLiRh5O11
Alexandria ALEXAlex-ID: agm009034569 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5D11_1_spg194
Sr2Rh3O8 Sr3(RhO2)16 Li2RhO3 RhO2
2024-12-22 05:30:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009034569).
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 agm009034569
data_agm009034569
_cell_length_a 5.97648
_cell_length_b 5.97648
_cell_length_c 13.54154
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 418.87971
_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
Sr1 Sr 0.33333 0.66667 0.75000 1.00000
Sr2 Sr 0.66667 0.33333 0.25000 1.00000
Li1 Li 0.33333 0.66667 0.25000 1.00000
Li2 Li 0.66667 0.33333 0.75000 1.00000
Rh1 Rh 0.50000 0.00000 0.00000 1.00000
Rh2 Rh 0.00000 0.50000 0.00000 1.00000
Rh3 Rh 0.50000 0.00000 0.50000 1.00000
Rh4 Rh 0.50000 0.50000 0.00000 1.00000
Rh5 Rh 0.00000 0.50000 0.50000 1.00000
Rh6 Rh 0.50000 0.50000 0.50000 1.00000
Rh7 Rh 0.00000 0.00000 0.15076 1.00000
Rh8 Rh 0.00000 0.00000 0.84924 1.00000
Rh9 Rh 0.00000 0.00000 0.65076 1.00000
Rh10 Rh 0.00000 0.00000 0.34924 1.00000
O1 O 0.14545 0.29091 0.25000 1.00000
O2 O 0.85455 0.70909 0.75000 1.00000
O3 O 0.70909 0.85455 0.25000 1.00000
O4 O 0.29091 0.14545 0.75000 1.00000
O5 O 0.14545 0.85455 0.25000 1.00000
O6 O 0.85455 0.14545 0.75000 1.00000
O7 O 0.17378 0.34757 0.58109 1.00000
O8 O 0.82622 0.65243 0.41891 1.00000
O9 O 0.65243 0.82622 0.58109 1.00000
O10 O 0.82622 0.65243 0.08109 1.00000
O11 O 0.34757 0.17378 0.41891 1.00000
O12 O 0.17378 0.34757 0.91891 1.00000
O13 O 0.17378 0.82622 0.58109 1.00000
O14 O 0.34757 0.17378 0.08109 1.00000
O15 O 0.82622 0.17378 0.41891 1.00000
O16 O 0.65243 0.82622 0.91891 1.00000
O17 O 0.82622 0.17378 0.08109 1.00000
O18 O 0.17378 0.82622 0.91891 1.00000
O19 O 0.33333 0.66667 0.07883 1.00000
O20 O 0.66667 0.33333 0.92117 1.00000
O21 O 0.66667 0.33333 0.57883 1.00000
O22 O 0.33333 0.66667 0.42117 1.00000
