AcThHgC
Alexandria ALEXAlex-ID: agm005200764 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_778_spg160
Th2C3 AcHg Th6C5
2022-07-10 10:04:55.276103
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005200764).
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 agm005200764
data_agm005200764
_cell_length_a 3.85730
_cell_length_b 3.85127
_cell_length_c 8.56465
_cell_angle_alpha 90.11538
_cell_angle_beta 102.94793
_cell_angle_gamma 119.90613
_cell_volume 106.50761
_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
Ac1 Ac 0.50816 0.15196 0.67555 1.00000
Th1 Th 0.08477 0.94048 0.04050 1.00000
Hg1 Hg 0.95899 0.37774 0.35199 1.00000
C1 C 0.32598 0.56062 0.90162 1.00000
获取直接链接