Li4DyPd7
Alexandria ALEXAlex-ID: agm003667587 · 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
AB4C7_85_spg12
DyPd3 LiPd
2022-04-20 09:58:46.056884
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003667587).
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 agm003667587
data_agm003667587
_cell_length_a 4.97716
_cell_length_b 8.29485
_cell_length_c 5.71146
_cell_angle_alpha 79.24267
_cell_angle_beta 64.16905
_cell_angle_gamma 72.54147
_cell_volume 202.02983
_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
Li1 Li 0.58014 0.23608 0.60364 1.00000
Li2 Li 0.41986 0.76392 0.39636 1.00000
Li3 Li 0.72601 0.67704 0.87095 1.00000
Li4 Li 0.27399 0.32296 0.12905 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.78349 0.91701 0.51600 1.00000
Pd2 Pd 0.21651 0.08299 0.48400 1.00000
Pd3 Pd 0.04662 0.62470 0.28207 1.00000
Pd4 Pd 0.95338 0.37530 0.71793 1.00000
Pd5 Pd 0.34542 0.54714 0.76202 1.00000
Pd6 Pd 0.50000 0.00000 0.00000 1.00000
Pd7 Pd 0.65458 0.45286 0.23798 1.00000
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