Li5H5Rh2
Alexandria ALEXAlex-ID: agm003374055 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_68_spg12
Li3H4Rh Li4H4Rh LiRh
2022-02-08 18:08:29.911214
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374055).
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 agm003374055
data_agm003374055
_cell_length_a 2.98430
_cell_length_b 4.89692
_cell_length_c 7.85171
_cell_angle_alpha 88.48060
_cell_angle_beta 90.00000
_cell_angle_gamma 107.74084
_cell_volume 109.24504
_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 0.50000 0.00000 0.50000 1.00000
Li2 Li 0.63871 0.27742 0.94877 1.00000
Li3 Li 0.77694 0.55388 0.32909 1.00000
Li4 Li 0.22306 0.44612 0.67091 1.00000
Li5 Li 0.36129 0.72258 0.05123 1.00000
H1 H 0.14551 0.29101 0.40480 1.00000
H2 H 0.54359 0.08718 0.73712 1.00000
H3 H 0.45641 0.91282 0.26288 1.00000
H4 H 0.85449 0.70899 0.59520 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.94138 0.88275 0.78330 1.00000
Rh2 Rh 0.05862 0.11725 0.21670 1.00000
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