K(Li2Au)4
Alexandria ALEXAlex-ID: agm097329792 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1920_spg8
Li5Au3 Li3Au K
2025-06-16 13:09:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097329792).
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 agm097329792
data_agm097329792
_cell_length_a 4.05946
_cell_length_b 8.68071
_cell_length_c 8.39807
_cell_angle_alpha 61.08477
_cell_angle_beta 89.99989
_cell_angle_gamma 102.31838
_cell_volume 251.23447
_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
K1 K 0.71531 0.07506 0.00082 1.00000
Li1 Li 0.30673 0.21780 0.24821 1.00000
Li2 Li 0.50468 0.62007 0.05729 1.00000
Li3 Li 0.09898 0.82696 0.45990 1.00000
Li4 Li 0.30683 0.21790 0.61084 1.00000
Li5 Li 0.50451 0.62001 0.39945 1.00000
Li6 Li 0.88361 0.37747 0.34954 1.00000
Li7 Li 0.47750 0.56128 0.75770 1.00000
Li8 Li 0.09916 0.82692 0.79053 1.00000
Au1 Au 0.05537 0.73101 0.17309 1.00000
Au2 Au 0.93235 0.45903 0.99857 1.00000
Au3 Au 0.93225 0.45902 0.61908 1.00000
Au4 Au 0.68271 0.00749 0.53500 1.00000
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