Ag(Hg3Pb4)2
Alexandria ALEXAlex-ID: agm072489757 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_0_spg148
Ag Hg Pb
2024-10-05 02:21:19.304428
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072489757).
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 agm072489757
data_agm072489757
_cell_length_a 7.94355
_cell_length_b 7.94355
_cell_length_c 7.94355
_cell_angle_alpha 71.28880
_cell_angle_beta 71.28880
_cell_angle_gamma 71.28880
_cell_volume 436.19059
_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
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.82679 0.56029 0.39830 1.00000
Hg2 Hg 0.56029 0.39830 0.82679 1.00000
Hg3 Hg 0.39830 0.82679 0.56029 1.00000
Hg4 Hg 0.17321 0.43971 0.60170 1.00000
Hg5 Hg 0.43971 0.60170 0.17321 1.00000
Hg6 Hg 0.60170 0.17321 0.43971 1.00000
Pb1 Pb 0.75061 0.75061 0.75061 1.00000
Pb2 Pb 0.24939 0.24939 0.24939 1.00000
Pb3 Pb 0.14244 0.64142 0.91584 1.00000
Pb4 Pb 0.64142 0.91584 0.14244 1.00000
Pb5 Pb 0.91584 0.14244 0.64142 1.00000
Pb6 Pb 0.85756 0.35858 0.08416 1.00000
Pb7 Pb 0.35858 0.08416 0.85756 1.00000
Pb8 Pb 0.08416 0.85756 0.35858 1.00000
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