Li4In3Pb4
Alexandria ALEXAlex-ID: agm005705232 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_55_spg71
Li6InPb5 LiIn Pb
2023-07-02 00:53:50.721629
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705232).
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 agm005705232
data_agm005705232
_cell_length_a 3.55325
_cell_length_b 4.29608
_cell_length_c 18.01779
_cell_angle_alpha 96.82424
_cell_angle_beta 95.91829
_cell_angle_gamma 89.89158
_cell_volume 271.62356
_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 0.09841 0.10037 0.20051 1.00000
Li2 Li 0.27353 0.27221 0.54436 1.00000
Li3 Li 0.72646 0.72781 0.45564 1.00000
Li4 Li 0.90156 0.89966 0.79949 1.00000
In1 In 0.63990 0.64207 0.28405 1.00000
In2 In 0.36008 0.35795 0.71594 1.00000
In3 In 0.99997 0.00002 0.00000 1.00000
Pb1 Pb 0.55413 0.55243 0.10489 1.00000
Pb2 Pb 0.44583 0.44762 0.89511 1.00000
Pb3 Pb 0.81169 0.81056 0.62175 1.00000
Pb4 Pb 0.18829 0.18945 0.37825 1.00000
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