Pr2Dy2Hg3
Alexandria ALEXAlex-ID: agm005559244 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_273_spg166
Dy2Hg PrHg
2023-06-12 05:21:48.364332
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005559244).
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 agm005559244
data_agm005559244
_cell_length_a 5.25036
_cell_length_b 5.25121
_cell_length_c 9.17743
_cell_angle_alpha 90.00325
_cell_angle_beta 106.62196
_cell_angle_gamma 119.99219
_cell_volume 206.84563
_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
Pr1 Pr 0.25524 0.12790 0.38268 1.00000
Pr2 Pr 0.74476 0.87210 0.61732 1.00000
Dy1 Dy 0.75425 0.37735 0.13123 1.00000
Dy2 Dy 0.24575 0.62265 0.86877 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Hg2 Hg 0.50807 0.25370 0.76232 1.00000
Hg3 Hg 0.49193 0.74630 0.23768 1.00000
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