Ac6CoHg3
Alexandria ALEXAlex-ID: agm005993715 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_1114_spg14
Ac5CoHg2 AcHg
2023-09-14 19:30:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993715).
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 agm005993715
data_agm005993715
_cell_length_a 8.14251
_cell_length_b 8.32961
_cell_length_c 11.06952
_cell_angle_alpha 90.00002
_cell_angle_beta 81.28866
_cell_angle_gamma 90.00016
_cell_volume 742.11750
_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 0.71976 0.16890 0.93958 1.00000
Ac2 Ac 0.63882 0.19580 0.57907 1.00000
Ac3 Ac 0.66936 0.44726 0.25958 1.00000
Ac4 Ac 0.33064 0.55274 0.74042 1.00000
Ac5 Ac 0.36118 0.80420 0.42093 1.00000
Ac6 Ac 0.28024 0.83110 0.06042 1.00000
Ac7 Ac 0.21977 0.33111 0.43958 1.00000
Ac8 Ac 0.13883 0.30421 0.07908 1.00000
Ac9 Ac 0.16937 0.05274 0.75956 1.00000
Ac10 Ac 0.83063 0.94726 0.24044 1.00000
Ac11 Ac 0.86117 0.69579 0.92092 1.00000
Ac12 Ac 0.78023 0.66889 0.56042 1.00000
Co1 Co 0.50000 0.50000 0.50000 1.00000
Co2 Co 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.54863 0.88822 0.78182 1.00000
Hg2 Hg 0.50000 0.50000 0.00000 1.00000
Hg3 Hg 0.45137 0.11178 0.21818 1.00000
Hg4 Hg 0.04863 0.61178 0.28183 1.00000
Hg5 Hg 0.00000 0.00000 0.50000 1.00000
Hg6 Hg 0.95137 0.38822 0.71817 1.00000
