DyZn2H8Au
Alexandria ALEXAlex-ID: agm007168255 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_239_spg1
ZnH2 DyH3 ZnAu H2
2025-05-27 09:06:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007168255).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007168255
data_agm007168255
_cell_length_a 4.21362
_cell_length_b 5.74923
_cell_length_c 5.84703
_cell_angle_alpha 83.99545
_cell_angle_beta 89.23399
_cell_angle_gamma 63.30741
_cell_volume 125.76493
_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
Dy1 Dy 0.50000 0.00000 0.50000 1.00000
Zn1 Zn 0.71099 0.41626 0.28561 1.00000
Zn2 Zn 0.28901 0.58374 0.71439 1.00000
H1 H 0.89362 0.20620 0.52858 1.00000
H2 H 0.11935 0.19179 0.13910 1.00000
H3 H 0.10638 0.79380 0.47142 1.00000
H4 H 0.70295 0.69844 0.24899 1.00000
H5 H 0.29705 0.30156 0.75101 1.00000
H6 H 0.37265 0.35609 0.25596 1.00000
H7 H 0.62735 0.64391 0.74404 1.00000
H8 H 0.88065 0.80821 0.86090 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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