Pr(Y2Pd)2
Alexandria ALEXAlex-ID: agm096433949 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_1844_spg65
Y3Pd YPd Pr
2025-04-11 14:42:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096433949).
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 agm096433949
data_agm096433949
_cell_length_a 3.56152
_cell_length_b 5.34647
_cell_length_c 10.79863
_cell_angle_alpha 104.32588
_cell_angle_beta 80.47109
_cell_angle_gamma 89.99737
_cell_volume 196.29884
_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 0.61199 0.10086 0.98758 1.00000
Y1 Y 0.72771 0.48642 0.75862 1.00000
Y2 Y 0.38770 0.32921 0.44412 1.00000
Y3 Y 0.27604 0.93827 0.66239 1.00000
Y4 Y 0.49700 0.71643 0.21880 1.00000
Pd1 Pd 0.11302 0.60108 0.98708 1.00000
Pd2 Pd 0.88654 0.82773 0.44142 1.00000
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