La(Y2Hg)4
Alexandria ALEXAlex-ID: agm097396809 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1338_spg6
Y2Hg La
2025-06-19 20:12:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097396809).
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 agm097396809
data_agm097396809
_cell_length_a 5.27924
_cell_length_b 9.57464
_cell_length_c 8.53379
_cell_angle_alpha 63.16597
_cell_angle_beta 89.99784
_cell_angle_gamma 89.99722
_cell_volume 384.90625
_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
La1 La 0.30776 0.00828 0.99502 1.00000
Y1 Y 0.80775 0.06295 0.26948 1.00000
Y2 Y 0.80772 0.74038 0.12816 1.00000
Y3 Y 0.80764 0.67063 0.66644 1.00000
Y4 Y 0.80773 0.06418 0.66336 1.00000
Y5 Y 0.30766 0.74278 0.40708 1.00000
Y6 Y 0.30767 0.39754 0.30294 1.00000
Y7 Y 0.30767 0.40288 0.80443 1.00000
Y8 Y 0.30765 0.74551 0.84808 1.00000
Hg1 Hg 0.80770 0.23009 0.88258 1.00000
Hg2 Hg 0.80772 0.45097 0.06066 1.00000
Hg3 Hg 0.80757 0.45462 0.48926 1.00000
Hg4 Hg 0.30775 0.02921 0.48251 1.00000
获取直接链接