Ac2CdHg
Alexandria ALEXAlex-ID: agm005607657 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_2883_spg63
Ac3CdHg2 Ac3Cd2Hg
2023-07-11 21:08:03.703544
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607657).
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 agm005607657
data_agm005607657
_cell_length_a 5.72947
_cell_length_b 7.03533
_cell_length_c 7.03533
_cell_angle_alpha 109.32495
_cell_angle_beta 90.00034
_cell_angle_gamma 90.00034
_cell_volume 267.60716
_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 0.74996 0.62203 0.87190 1.00000
Ac2 Ac 0.75004 0.12810 0.37797 1.00000
Ac3 Ac 0.25004 0.37797 0.12810 1.00000
Ac4 Ac 0.24996 0.87190 0.62203 1.00000
Cd1 Cd 0.25000 0.87893 0.12107 1.00000
Cd2 Cd 0.75000 0.12107 0.87893 1.00000
Hg1 Hg 0.25000 0.37019 0.62981 1.00000
Hg2 Hg 0.75000 0.62981 0.37019 1.00000
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