Li5(PrSn2)2
Alexandria ALEXAlex-ID: agm003365617 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_154_spg69
Li8Pr7Sn10 Li(PrSn2)2 Li8Sn3
2022-02-05 07:56:56.985819
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003365617).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm003365617
data_agm003365617
_cell_length_a 6.28401
_cell_length_b 6.06158
_cell_length_c 8.77051
_cell_angle_alpha 79.29828
_cell_angle_beta 69.00744
_cell_angle_gamma 58.77856
_cell_volume 266.73111
_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 0.50000 0.00000 0.00000 1.00000
Li2 Li 0.00000 0.50000 0.00000 1.00000
Li3 Li 0.50000 0.50000 0.00000 1.00000
Li4 Li 0.25000 0.50000 0.50000 1.00000
Li5 Li 0.75000 0.50000 0.50000 1.00000
Pr1 Pr 0.83378 1.00000 0.33245 1.00000
Pr2 Pr 0.16622 0.00000 0.66755 1.00000
Sn1 Sn 0.49835 0.28247 0.72084 1.00000
Sn2 Sn 0.50165 0.71753 0.27916 1.00000
Sn3 Sn 0.21918 0.28247 0.27916 1.00000
Sn4 Sn 0.78082 0.71753 0.72084 1.00000
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