Be2Hg
Alexandria ALEXAlex-ID: agm005446151 · 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
AB2_2872_spg63
Hg Be
2023-03-18 07:01:35.798504
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005446151).
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 agm005446151
data_agm005446151
_cell_length_a 5.44511
_cell_length_b 5.44511
_cell_length_c 3.84246
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 131.34239
_cell_volume 85.53291
_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
Be1 Be 0.86710 0.38204 0.25000 1.00000
Be2 Be 0.13290 0.61796 0.75000 1.00000
Be3 Be 0.38204 0.86710 0.25000 1.00000
Be4 Be 0.61796 0.13290 0.75000 1.00000
Hg1 Hg 0.24897 0.24897 0.25000 1.00000
Hg2 Hg 0.75103 0.75103 0.75000 1.00000
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