Li2SiRh2
Alexandria ALEXAlex-ID: agm005407956 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_106_spg139
LiSiRh2 Li
2023-03-17 16:46:09.250079
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005407956).
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 agm005407956
data_agm005407956
_cell_length_a 7.38412
_cell_length_b 7.38412
_cell_length_c 7.38412
_cell_angle_alpha 156.56569
_cell_angle_beta 156.56569
_cell_angle_gamma 33.38069
_cell_volume 63.62075
_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 0.25000 0.75000 0.50000 1.00000
Li2 Li 0.75000 0.25000 0.50000 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.59775 0.59775 0.00000 1.00000
Rh2 Rh 0.40225 0.40225 0.00000 1.00000
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