Li2H8RhSe
Alexandria ALEXAlex-ID: agm007228488 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1889_spg2
LiH7Se2 LiH3Rh Li2Se H2
2024-01-28 14:32:24.867449
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007228488).
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 agm007228488
data_agm007228488
_cell_length_a 4.76034
_cell_length_b 6.40980
_cell_length_c 5.04570
_cell_angle_alpha 117.51995
_cell_angle_beta 100.91460
_cell_angle_gamma 86.63778
_cell_volume 133.99486
_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 0.47017 0.87154 0.70062 1.00000
Li2 Li 0.52983 0.12846 0.29938 1.00000
H1 H 0.40695 0.58437 0.27631 1.00000
H2 H 0.30197 0.84887 0.98838 1.00000
H3 H 0.85308 0.78447 0.03710 1.00000
H4 H 0.59305 0.41563 0.72369 1.00000
H5 H 0.69803 0.15113 0.01162 1.00000
H6 H 0.14692 0.21553 0.96290 1.00000
H7 H 0.56840 0.58156 0.31749 1.00000
H8 H 0.43160 0.41844 0.68251 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.00000 0.00000 0.50000 1.00000
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