Li4Ag3Hg4
Alexandria ALEXAlex-ID: agm005705116 · 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_146_spg12
Ag LiHg
2023-06-29 20:27:40.943853
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705116).
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 agm005705116
data_agm005705116
_cell_length_a 3.06781
_cell_length_b 7.89846
_cell_length_c 9.57299
_cell_angle_alpha 114.36438
_cell_angle_beta 99.22040
_cell_angle_gamma 89.99999
_cell_volume 208.00970
_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 0.73615 0.23615 0.47231 1.00000
Li2 Li 0.26385 0.76385 0.52769 1.00000
Li3 Li 0.50000 0.79633 1.00000 1.00000
Li4 Li 0.50000 0.20367 0.00000 1.00000
Ag1 Ag 0.90741 0.90741 0.81482 1.00000
Ag2 Ag 0.09259 0.09259 0.18518 1.00000
Ag3 Ag 0.00000 0.50000 0.00000 1.00000
Hg1 Hg 0.65272 0.46168 0.30543 1.00000
Hg2 Hg 0.34728 0.15625 0.69457 1.00000
Hg3 Hg 0.34728 0.53832 0.69457 1.00000
Hg4 Hg 0.65272 0.84375 0.30543 1.00000
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