LiMg(TiRh2)2
Alexandria ALEXAlex-ID: agm034997470 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_208_spg139
LiTiRh2 MgTiRh2
2024-12-03 09:58:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034997470).
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 agm034997470
data_agm034997470
_cell_length_a 7.46321
_cell_length_b 7.46321
_cell_length_c 7.46321
_cell_angle_alpha 33.70268
_cell_angle_beta 33.70268
_cell_angle_gamma 33.70268
_cell_volume 114.03202
_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 0.50000 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.24793 0.24793 0.24793 1.00000
Ti2 Ti 0.75207 0.75207 0.75207 1.00000
Rh1 Rh 0.62323 0.62323 0.62323 1.00000
Rh2 Rh 0.12629 0.12629 0.12629 1.00000
Rh3 Rh 0.87371 0.87371 0.87371 1.00000
Rh4 Rh 0.37677 0.37677 0.37677 1.00000
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