Li5(AcAg2)2
Alexandria ALEXAlex-ID: agm005652935 · 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
Li2AcAg2 Li3Ag AcAg
2023-06-22 01:12:41.428068
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652935).
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 agm005652935
data_agm005652935
_cell_length_a 5.72921
_cell_length_b 5.72921
_cell_length_c 9.20782
_cell_angle_alpha 99.23218
_cell_angle_beta 99.23218
_cell_angle_gamma 118.96694
_cell_volume 250.88103
_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 0.50000 0.00000 1.00000
Li2 Li 0.50000 0.00000 0.00000 1.00000
Li3 Li 0.00000 0.50000 0.00000 1.00000
Li4 Li 0.75000 0.25000 0.50000 1.00000
Li5 Li 0.25000 0.75000 0.50000 1.00000
Ac1 Ac 0.85871 0.85871 0.71743 1.00000
Ac2 Ac 0.14129 0.14129 0.28257 1.00000
Ag1 Ag 0.47335 0.78848 0.26184 1.00000
Ag2 Ag 0.52665 0.21152 0.73816 1.00000
Ag3 Ag 0.21152 0.52665 0.73816 1.00000
Ag4 Ag 0.78848 0.47335 0.26184 1.00000
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