Ac3Pm2Hg3
Alexandria ALEXAlex-ID: agm005578298 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_16_spg71
AcPmHg AcHg
2023-06-06 02:21:41.166071
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005578298).
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 agm005578298
data_agm005578298
_cell_length_a 3.97355
_cell_length_b 5.73984
_cell_length_c 12.27185
_cell_angle_alpha 103.52456
_cell_angle_beta 99.31701
_cell_angle_gamma 90.00000
_cell_volume 268.33024
_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 0.37779 0.37779 0.75557 1.00000
Ac2 Ac 0.62221 0.62221 0.24443 1.00000
Ac3 Ac 0.50000 0.00000 0.00000 1.00000
Pm1 Pm 0.26629 0.76629 0.53258 1.00000
Pm2 Pm 0.73371 0.23371 0.46742 1.00000
Hg1 Hg 0.87364 0.87364 0.74728 1.00000
Hg2 Hg 0.00000 0.50000 0.00000 1.00000
Hg3 Hg 0.12636 0.12636 0.25272 1.00000
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