Li4Tl2Rh
Alexandria ALEXAlex-ID: agm041368554 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_27_spg166
Li2Tl Li2TlRh
2025-06-24 17:22:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm041368554).
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 agm041368554
data_agm041368554
_cell_length_a 7.18043
_cell_length_b 7.18043
_cell_length_c 7.18043
_cell_angle_alpha 37.44239
_cell_angle_beta 37.44239
_cell_angle_gamma 37.44239
_cell_volume 122.70687
_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 0.58440 0.58440 0.58440 1.00000
Li2 Li 0.86909 0.86909 0.86909 1.00000
Li3 Li 0.41560 0.41560 0.41560 1.00000
Li4 Li 0.13091 0.13091 0.13091 1.00000
Tl1 Tl 0.72445 0.72445 0.72445 1.00000
Tl2 Tl 0.27555 0.27555 0.27555 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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