Li3Tl3Rh
Alexandria ALEXAlex-ID: agm005966469 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_599_spg44
LiTl Li5Tl5Rh2
2023-08-06 04:53:09.236930
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005966469).
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 agm005966469
data_agm005966469
_cell_length_a 4.51111
_cell_length_b 3.18329
_cell_length_c 9.89068
_cell_angle_alpha 99.26052
_cell_angle_beta 103.18221
_cell_angle_gamma 90.00000
_cell_volume 136.38731
_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 0.14721 0.64721 0.29443 1.00000
Li2 Li 0.86022 0.36022 0.72044 1.00000
Li3 Li 0.56299 0.56299 0.12597 1.00000
Tl1 Tl 0.30538 0.80538 0.61076 1.00000
Tl2 Tl 0.70027 0.20027 0.40054 1.00000
Tl3 Tl 0.99280 0.99280 0.98559 1.00000
Rh1 Rh 0.43113 0.43113 0.86227 1.00000
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