Li3(HRh)4
Alexandria ALEXAlex-ID: agm007272865 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_183_spg2
Li2H3Rh LiRh3 Rh
2024-03-05 10:56:02.926746
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007272865).
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 agm007272865
data_agm007272865
_cell_length_a 4.74646
_cell_length_b 4.86965
_cell_length_c 5.51971
_cell_angle_alpha 102.01823
_cell_angle_beta 92.52020
_cell_angle_gamma 114.23792
_cell_volume 112.57892
_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 0.71659 0.97642 0.86829 1.00000
Li2 Li 0.28341 0.02358 0.13171 1.00000
Li3 Li 0.00000 0.00000 0.50000 1.00000
H1 H 0.52252 0.71900 0.17512 1.00000
H2 H 0.47748 0.28100 0.82488 1.00000
H3 H 0.14530 0.69772 0.67697 1.00000
H4 H 0.85470 0.30228 0.32303 1.00000
Rh1 Rh 0.26809 0.54805 0.38853 1.00000
Rh2 Rh 0.75954 0.51235 0.11945 1.00000
Rh3 Rh 0.73191 0.45195 0.61147 1.00000
Rh4 Rh 0.24046 0.48765 0.88055 1.00000
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