Li8TbSn4
Alexandria ALEXAlex-ID: agm097842495 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_814_spg1
Li4Tb3Sn4 Li8Sn3 TbSn2
2025-06-16 13:42:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097842495).
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 agm097842495
data_agm097842495
_cell_length_a 4.78743
_cell_length_b 8.39955
_cell_length_c 8.00243
_cell_angle_alpha 122.07745
_cell_angle_beta 89.99911
_cell_angle_gamma 89.99783
_cell_volume 272.66746
_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 0.76913 0.14278 0.53573 1.00000
Li2 Li 0.26934 0.22106 0.82536 1.00000
Li3 Li 0.26916 0.51036 0.27501 1.00000
Li4 Li 0.76927 0.69414 0.83195 1.00000
Li5 Li 0.76927 0.45321 0.01786 1.00000
Li6 Li 0.26928 0.39873 0.58378 1.00000
Li7 Li 0.76893 0.74350 0.44735 1.00000
Li8 Li 0.26922 0.80356 0.69676 1.00000
Tb1 Tb 0.26939 0.06522 0.14784 1.00000
Sn1 Sn 0.76937 0.06628 0.88172 1.00000
Sn2 Sn 0.26900 0.90373 0.41485 1.00000
Sn3 Sn 0.26931 0.63331 0.98897 1.00000
Sn4 Sn 0.76932 0.36411 0.35282 1.00000
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