Li5Tl6Rh
Alexandria ALEXAlex-ID: agm006138136 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
LiTl Li5Tl5Rh2 Tl
2023-09-17 08:40:55.449406
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006138136).
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 agm006138136
data_agm006138136
_cell_length_a 4.91891
_cell_length_b 6.69705
_cell_length_c 7.71252
_cell_angle_alpha 89.99996
_cell_angle_beta 71.59512
_cell_angle_gamma 89.99989
_cell_volume 241.07111
_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
Tl1 Tl 0.83520 0.75514 0.33109 1.00000
Tl2 Tl 0.83519 0.24486 0.33109 1.00000
Tl3 Tl 0.50000 0.25233 1.00000 1.00000
Tl4 Tl 0.50000 0.74767 0.00000 1.00000
Tl5 Tl 0.16481 0.75514 0.66891 1.00000
Tl6 Tl 0.16480 0.24486 0.66891 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Li1 Li 0.67520 0.50000 0.64984 1.00000
Li2 Li 0.34091 0.00000 0.31969 1.00000
Li3 Li 0.00000 0.50000 0.00000 1.00000
Li4 Li 0.65909 1.00000 0.68031 1.00000
Li5 Li 0.32480 0.50000 0.35016 1.00000
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