Li2Sm(TlAg)2
Alexandria ALEXAlex-ID: agm004550656 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_139_spg166
LiSmTl2 Sm14Ag51 SmTl3 LiAg
2022-06-22 05:15:31.396895
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004550656).
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}
}
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# CIF generated by HEAS from Alexandria entry agm004550656
data_agm004550656
_cell_length_a 4.87713
_cell_length_b 4.87713
_cell_length_c 7.89979
_cell_angle_alpha 72.01984
_cell_angle_beta 72.01984
_cell_angle_gamma 60.00000
_cell_volume 152.04427
_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 0.14402 0.14402 0.56795 1.00000
Li2 Li 0.85598 0.85598 0.43205 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.73209 0.73209 0.80374 1.00000
Tl2 Tl 0.26791 0.26791 0.19626 1.00000
Ag1 Ag 0.56672 0.56672 0.29985 1.00000
Ag2 Ag 0.43328 0.43328 0.70015 1.00000
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