Li4CdAg6
Alexandria ALEXAlex-ID: agm003661558 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_181_spg121
Li3Ag8 LiCdAg2 LiAg
2022-04-08 11:40:10.581976
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661558).
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 agm003661558
data_agm003661558
_cell_length_a 7.05573
_cell_length_b 7.05573
_cell_length_c 7.05573
_cell_angle_alpha 82.50461
_cell_angle_beta 124.41780
_cell_angle_gamma 124.41780
_cell_volume 229.63168
_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 0.00000 0.08581 0.58086 1.00000
Li2 Li 0.50495 0.41914 0.41914 1.00000
Li3 Li 0.00000 0.58086 0.08581 1.00000
Li4 Li 0.49505 0.91419 0.91419 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.00000 0.75508 0.44937 1.00000
Ag2 Ag 0.00000 0.44937 0.75508 1.00000
Ag3 Ag 0.69429 0.24492 0.24492 1.00000
Ag4 Ag 0.50000 0.00000 0.50000 1.00000
Ag5 Ag 0.30571 0.55063 0.55063 1.00000
Ag6 Ag 0.50000 0.50000 0.00000 1.00000
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