TaHg
Alexandria ALEXAlex-ID: agm005457280 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_1540_spg8
Hg Ta
2023-03-22 00:17:25.286200
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005457280).
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 agm005457280
data_agm005457280
_cell_length_a 5.97956
_cell_length_b 5.97956
_cell_length_c 7.11411
_cell_angle_alpha 75.08313
_cell_angle_beta 75.08313
_cell_angle_gamma 29.03439
_cell_volume 119.00818
_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
Ta1 Ta 0.99522 0.99522 0.99195 1.00000
Ta2 Ta 0.93910 0.93910 0.63625 1.00000
Ta3 Ta 0.28358 0.28358 0.93020 1.00000
Hg1 Hg 0.61101 0.61101 0.27112 1.00000
Hg2 Hg 0.34204 0.34204 0.33286 1.00000
Hg3 Hg 0.66239 0.66239 0.67095 1.00000
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