UH8Pd2Pb
Alexandria ALEXAlex-ID: agm007454764 · 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
ABC2D8_14_spg1
H4Pd U4H15 H2Pd3Pb H6Pb
2024-10-15 11:05:11.452716
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007454764).
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 agm007454764
data_agm007454764
_cell_length_a 5.69322
_cell_length_b 5.69322
_cell_length_c 5.53908
_cell_angle_alpha 71.65423
_cell_angle_beta 71.65423
_cell_angle_gamma 42.14352
_cell_volume 113.40756
_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
U1 U 0.50000 0.50000 0.50000 1.00000
H1 H 0.90381 0.90381 0.59852 1.00000
H2 H 0.71271 0.71271 0.16428 1.00000
H3 H 0.09619 0.09619 0.40148 1.00000
H4 H 0.28729 0.28729 0.83572 1.00000
H5 H 0.12131 0.56581 0.34441 1.00000
H6 H 0.87869 0.43419 0.65560 1.00000
H7 H 0.56581 0.12131 0.34441 1.00000
H8 H 0.43419 0.87869 0.65560 1.00000
Pd1 Pd 0.27242 0.27242 0.16764 1.00000
Pd2 Pd 0.72758 0.72758 0.83236 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
获取直接链接