Li(Ga2Rh)2
Alexandria ALEXAlex-ID: agm005994770 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_2838_spg1
LiGa2Rh Ga17Rh10 LiGa3Rh
2023-10-13 22:13:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994770).
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 agm005994770
data_agm005994770
_cell_length_a 6.59266
_cell_length_b 5.39066
_cell_length_c 6.94317
_cell_angle_alpha 104.55213
_cell_angle_beta 114.36828
_cell_angle_gamma 98.06372
_cell_volume 209.06574
_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 0.83593 0.28252 0.61067 1.00000
Li2 Li 0.08706 0.06259 0.00196 1.00000
Ga1 Ga 0.23493 0.70110 0.75236 1.00000
Ga2 Ga 0.75376 0.63022 0.85718 1.00000
Ga3 Ga 0.96982 0.44515 0.28449 1.00000
Ga4 Ga 0.45931 0.89141 0.49715 1.00000
Ga5 Ga 0.02573 0.95152 0.30825 1.00000
Ga6 Ga 0.57409 0.87415 0.17902 1.00000
Ga7 Ga 0.25026 0.21602 0.76536 1.00000
Ga8 Ga 0.52784 0.37208 0.21541 1.00000
Rh1 Rh 0.17751 0.58035 0.07568 1.00000
Rh2 Rh 0.63699 0.08835 0.91932 1.00000
Rh3 Rh 0.84148 0.77693 0.53631 1.00000
Rh4 Rh 0.37528 0.37761 0.49685 1.00000
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