LiHf2SnRh4
Alexandria ALEXAlex-ID: agm044952904 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_367_spg23
LiHf2Rh3 Li7Sn2 Hf2SnRh5 LiHfSnRh
2025-01-02 16:18:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044952904).
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 agm044952904
data_agm044952904
_cell_length_a 4.55843
_cell_length_b 4.55843
_cell_length_c 8.03338
_cell_angle_alpha 69.66720
_cell_angle_beta 110.33280
_cell_angle_gamma 122.33843
_cell_volume 129.46926
_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 0.50000 0.00000 1.00000
Hf1 Hf 0.24389 0.75611 0.23846 1.00000
Hf2 Hf 0.75611 0.24389 0.76154 1.00000
Sn1 Sn 0.00000 0.00000 0.50000 1.00000
Rh1 Rh 0.62482 0.37518 0.37144 1.00000
Rh2 Rh 0.12645 0.87355 0.87840 1.00000
Rh3 Rh 0.87355 0.12645 0.12160 1.00000
Rh4 Rh 0.37518 0.62482 0.62856 1.00000
Get direct link