LiHf3Rh4
Alexandria ALEXAlex-ID: agm017805362 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_9_spg5
LiHf2Rh3 HfRh
2024-10-15 21:59:03.207262
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017805362).
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 agm017805362
data_agm017805362
_cell_length_a 7.84970
_cell_length_b 7.84970
_cell_length_c 7.84970
_cell_angle_alpha 33.59985
_cell_angle_beta 33.59985
_cell_angle_gamma 33.59985
_cell_volume 131.94523
_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 0.00000 0.00000 0.00000 1.00000
Hf1 Hf 0.25652 0.25652 0.25652 1.00000
Hf2 Hf 0.74348 0.74348 0.74348 1.00000
Hf3 Hf 0.50000 0.50000 0.50000 1.00000
Rh1 Rh 0.87238 0.87238 0.87238 1.00000
Rh2 Rh 0.37780 0.37780 0.37780 1.00000
Rh3 Rh 0.12762 0.12762 0.12762 1.00000
Rh4 Rh 0.62220 0.62220 0.62220 1.00000
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