Li2SmYTl4
Alexandria ALEXAlex-ID: agm004792803 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_78_spg166
LiYTl2 LiSmTl2
2022-07-16 21:42:27.813548
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004792803).
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 agm004792803
data_agm004792803
_cell_length_a 5.22410
_cell_length_b 5.22410
_cell_length_c 9.02442
_cell_angle_alpha 73.17542
_cell_angle_beta 73.17542
_cell_angle_gamma 60.00000
_cell_volume 201.02571
_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 0.75049 0.75049 0.74853 1.00000
Li2 Li 0.24951 0.24951 0.25147 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Tl1 Tl 0.37582 0.37582 0.87255 1.00000
Tl2 Tl 0.87382 0.87382 0.37855 1.00000
Tl3 Tl 0.12618 0.12618 0.62145 1.00000
Tl4 Tl 0.62418 0.62418 0.12745 1.00000
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