LiH6Rh
Alexandria ALEXAlex-ID: agm079355677 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_236_spg2
LiH3Rh H2
2025-06-26 17:05:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079355677).
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
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# CIF generated by HEAS from Alexandria entry agm079355677
data_agm079355677
_cell_length_a 3.09300
_cell_length_b 5.31983
_cell_length_c 4.75128
_cell_angle_alpha 80.94314
_cell_angle_beta 89.99621
_cell_angle_gamma 106.94121
_cell_volume 73.76630
_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 0.04789 0.09613 0.34057 1.00000
H1 H 0.69508 0.38973 0.48301 1.00000
H2 H 0.47839 0.95742 0.66999 1.00000
H3 H 0.73202 0.46374 0.03726 1.00000
H4 H 0.15652 0.31289 0.67931 1.00000
H5 H 0.77800 0.55511 0.86931 1.00000
H6 H 0.50050 0.00165 0.11380 1.00000
Rh1 Rh 0.61160 0.22332 0.80675 1.00000
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