Y8IrPd2
Alexandria ALEXAlex-ID: agm003528080 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_259_spg8
Y3Ir Y3Pd YPd
2022-03-18 14:36:30.486952
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003528080).
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 agm003528080
data_agm003528080
_cell_length_a 5.09884
_cell_length_b 6.76960
_cell_length_c 9.08117
_cell_angle_alpha 105.07701
_cell_angle_beta 106.30419
_cell_angle_gamma 90.00000
_cell_volume 289.59038
_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 0.41061 0.56184 0.82123 1.00000
Y2 Y 0.66452 0.97371 0.32904 1.00000
Y3 Y 0.79694 0.68020 0.59389 1.00000
Y4 Y 0.96710 0.20722 0.93419 1.00000
Y5 Y 0.20306 0.31980 0.40611 1.00000
Y6 Y 0.33548 0.02629 0.67096 1.00000
Y7 Y 0.58939 0.43816 0.17877 1.00000
Y8 Y 0.03291 0.79278 0.06581 1.00000
Ir1 Ir 0.50000 0.00000 0.00000 1.00000
Pd1 Pd 0.81206 0.27800 0.62413 1.00000
Pd2 Pd 0.18794 0.72200 0.37587 1.00000
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