DyY2Pd
Alexandria ALEXAlex-ID: agm005707755 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_6950_spg62
Y3Pd Dy2YPd
2023-07-13 17:30:32.335224
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707755).
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 agm005707755
data_agm005707755
_cell_length_a 6.50641
_cell_length_b 7.03320
_cell_length_c 9.72826
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 445.17353
_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 0.63274 0.52412 0.25000 1.00000
Dy2 Dy 0.86726 0.02412 0.25000 1.00000
Dy3 Dy 0.36726 0.47588 0.75000 1.00000
Dy4 Dy 0.13274 0.97588 0.75000 1.00000
Y1 Y 0.17726 0.68072 0.05957 1.00000
Y2 Y 0.32274 0.18072 0.44043 1.00000
Y3 Y 0.82274 0.31928 0.55957 1.00000
Y4 Y 0.67726 0.81928 0.94043 1.00000
Y5 Y 0.82274 0.31928 0.94043 1.00000
Y6 Y 0.67726 0.81928 0.55957 1.00000
Y7 Y 0.17726 0.68072 0.44043 1.00000
Y8 Y 0.32274 0.18072 0.05957 1.00000
Pd1 Pd 0.05188 0.38923 0.25000 1.00000
Pd2 Pd 0.44812 0.88923 0.25000 1.00000
Pd3 Pd 0.94812 0.61077 0.75000 1.00000
Pd4 Pd 0.55188 0.11077 0.75000 1.00000
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