Li4AgPd
Alexandria ALEXAlex-ID: agm077690403 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_318_spg97
Li8Ag5 Li3Ag Li2Pd
2025-01-09 16:54:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077690403).
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 agm077690403
data_agm077690403
_cell_length_a 4.70309
_cell_length_b 4.70309
_cell_length_c 5.56373
_cell_angle_alpha 76.16498
_cell_angle_beta 103.83502
_cell_angle_gamma 128.90329
_cell_volume 92.34461
_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 0.33603 0.66397 0.16340 1.00000
Li2 Li 0.66397 0.33603 0.83660 1.00000
Li3 Li 0.34275 0.65725 0.68445 1.00000
Li4 Li 0.65725 0.34275 0.31555 1.00000
Ag1 Ag 0.00000 0.00000 0.50000 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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