DyY3Al2
Alexandria ALEXAlex-ID: agm059337296 · 空间群: Pmc2_1 (#26)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_208_spg26
DyYAl Y2Al
2024-10-15 18:59:56.253876
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059337296).
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 agm059337296
data_agm059337296
_cell_length_a 5.10788
_cell_length_b 6.59401
_cell_length_c 9.47439
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 319.11065
_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 0.19337 0.17768 1.00000
Dy2 Dy 0.50000 0.69337 0.82232 1.00000
Y1 Y 0.50000 0.03524 0.54243 1.00000
Y2 Y 0.00000 0.32154 0.67738 1.00000
Y3 Y 0.50000 0.53524 0.45757 1.00000
Y4 Y 0.00000 0.82154 0.32262 1.00000
Y5 Y 0.00000 0.98005 0.95791 1.00000
Y6 Y 0.00000 0.48005 0.04209 1.00000
Al1 Al 0.00000 0.29885 0.35362 1.00000
Al2 Al 0.50000 0.21655 0.85416 1.00000
Al3 Al 0.00000 0.79885 0.64638 1.00000
Al4 Al 0.50000 0.71655 0.14584 1.00000
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