Th4Ag2Hg5
Alexandria ALEXAlex-ID: agm005658746 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_140_spg10
Th2AgHg3 ThAgHg ThHg
2023-06-21 10:10:34.203867
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658746).
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 agm005658746
data_agm005658746
_cell_length_a 3.43545
_cell_length_b 8.02291
_cell_length_c 10.43328
_cell_angle_alpha 94.82848
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 286.54509
_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
Th1 Th 0.50000 0.72818 0.55583 1.00000
Th2 Th 0.50000 0.16851 0.88588 1.00000
Th3 Th 0.50000 0.27182 0.44417 1.00000
Th4 Th 0.50000 0.83149 0.11412 1.00000
Ag1 Ag 0.00000 0.06009 0.63332 1.00000
Ag2 Ag 0.00000 0.93991 0.36668 1.00000
Hg1 Hg 0.00000 0.56594 0.30114 1.00000
Hg2 Hg 0.00000 0.18605 0.16553 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Hg4 Hg 0.00000 0.81395 0.83447 1.00000
Hg5 Hg 0.00000 0.43406 0.69886 1.00000
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