Mg5Hg4Au
Alexandria ALEXAlex-ID: agm065614971 · 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
AB4C5_70_spg2
Mg3HgAu2 MgHg
2025-01-22 19:33:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm065614971).
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 agm065614971
data_agm065614971
_cell_length_a 7.84652
_cell_length_b 7.84652
_cell_length_c 6.03747
_cell_angle_alpha 72.89849
_cell_angle_beta 107.10151
_cell_angle_gamma 144.33681
_cell_volume 206.11724
_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 0.30786 0.69214 0.70963 1.00000
Mg2 Mg 0.09232 0.90768 0.91050 1.00000
Mg3 Mg 0.90768 0.09232 0.08950 1.00000
Mg4 Mg 0.50000 0.50000 0.50000 1.00000
Mg5 Mg 0.69214 0.30786 0.29037 1.00000
Hg1 Hg 0.70176 0.29824 0.80414 1.00000
Hg2 Hg 0.10368 0.89632 0.41855 1.00000
Hg3 Hg 0.29824 0.70176 0.19586 1.00000
Hg4 Hg 0.89632 0.10368 0.58145 1.00000
Au1 Au 0.50000 0.50000 0.00000 1.00000
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