Ho2AlHg4
Alexandria ALEXAlex-ID: agm006019752 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_564_spg166
HoAlHg HoHg3
2023-08-30 05:01:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019752).
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
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# CIF generated by HEAS from Alexandria entry agm006019752
data_agm006019752
_cell_length_a 5.21382
_cell_length_b 5.21382
_cell_length_c 7.74909
_cell_angle_alpha 71.66082
_cell_angle_beta 71.66085
_cell_angle_gamma 59.10861
_cell_volume 168.52902
_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
Hg1 Hg 0.86862 0.86862 0.40142 1.00000
Hg2 Hg 0.13138 0.13138 0.59858 1.00000
Hg3 Hg 0.58041 0.58041 0.26651 1.00000
Hg4 Hg 0.41959 0.41959 0.73349 1.00000
Ho1 Ho 0.71884 0.71883 0.83480 1.00000
Ho2 Ho 0.28116 0.28117 0.16520 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
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