Y8Pd2Au
Alexandria ALEXAlex-ID: agm006015491 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_1400_spg5
Y3Pd Y2Au
2023-10-01 20:45:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006015491).
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 agm006015491
data_agm006015491
_cell_length_a 5.84372
_cell_length_b 7.86249
_cell_length_c 7.86249
_cell_angle_alpha 114.61683
_cell_angle_beta 99.77030
_cell_angle_gamma 99.77030
_cell_volume 311.78819
_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
Y1 Y 0.58137 0.34158 0.08771 1.00000
Y2 Y 0.58137 0.08771 0.34158 1.00000
Y3 Y 0.17044 0.37472 0.37472 1.00000
Y4 Y 0.98916 0.22286 0.78064 1.00000
Y5 Y 0.98916 0.78064 0.22286 1.00000
Y6 Y 0.80668 0.63313 0.63313 1.00000
Y7 Y 0.38249 0.91745 0.66366 1.00000
Y8 Y 0.38249 0.66366 0.91745 1.00000
Pd1 Pd 0.49301 0.70111 0.30859 1.00000
Pd2 Pd 0.49301 0.30859 0.70111 1.00000
Au1 Au 0.13048 0.00248 0.00248 1.00000
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