Mg2AgHg4
Alexandria ALEXAlex-ID: agm006010353 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_2758_spg141
Mg3Ag2Hg Hg MgHg
2023-10-19 16:28:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010353).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006010353
data_agm006010353
_cell_length_a 10.56055
_cell_length_b 10.56025
_cell_length_c 8.79929
_cell_angle_alpha 65.32577
_cell_angle_beta 65.32657
_cell_angle_gamma 49.15868
_cell_volume 659.54611
_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
Mg1 Mg 0.37975 0.37975 0.86744 1.00000
Mg2 Mg 0.37333 0.86818 0.37918 1.00000
Mg3 Mg 0.37917 0.37918 0.37350 1.00000
Mg4 Mg 0.87083 0.87082 0.87650 1.00000
Mg5 Mg 0.87025 0.87025 0.38256 1.00000
Mg6 Mg 0.38180 0.87669 0.87082 1.00000
Mg7 Mg 0.86820 0.37331 0.37918 1.00000
Mg8 Mg 0.87667 0.38182 0.87082 1.00000
Ag1 Ag 0.62500 0.12500 0.12500 1.00000
Ag2 Ag 0.12500 0.62500 0.12500 1.00000
Ag3 Ag 0.12500 0.12500 0.12500 1.00000
Ag4 Ag 0.12500 0.12500 0.62500 1.00000
Hg1 Hg 0.00702 0.00703 0.49293 1.00000
Hg2 Hg 0.62500 0.12500 0.62500 1.00000
Hg3 Hg 0.23234 0.76769 0.76764 1.00000
Hg4 Hg 0.01832 0.48190 0.01804 1.00000
Hg5 Hg 0.49310 0.49310 0.00719 1.00000
Hg6 Hg 0.76807 0.23170 0.23200 1.00000
Hg7 Hg 0.23168 0.76810 0.23196 1.00000
Hg8 Hg 0.24298 0.24297 0.75707 1.00000
Hg9 Hg 0.48193 0.01830 0.01800 1.00000
Hg10 Hg 0.75690 0.75690 0.24281 1.00000
Hg11 Hg 0.62500 0.62500 0.12500 1.00000
Hg12 Hg 0.01766 0.48231 0.48236 1.00000
Hg13 Hg 0.48229 0.01769 0.48233 1.00000
Hg14 Hg 0.76771 0.23231 0.76767 1.00000
Hg15 Hg 0.62500 0.62500 0.62500 1.00000
Hg16 Hg 0.12500 0.62500 0.62500 1.00000
