U(H5Pd2)2
Alexandria ALEXAlex-ID: agm006487635 · 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
AB4C10_165_spg12
U4H15 H4Pd HPd
2024-02-26 10:33:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006487635).
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 agm006487635
data_agm006487635
_cell_length_a 8.16379
_cell_length_b 8.16379
_cell_length_c 5.70494
_cell_angle_alpha 85.48376
_cell_angle_beta 85.48376
_cell_angle_gamma 20.58311
_cell_volume 133.24356
_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 0.00000 0.00000 0.50000 1.00000
H1 H 0.60165 0.60165 0.66517 1.00000
H2 H 0.04018 0.04018 0.09753 1.00000
H3 H 0.41111 0.41111 0.67337 1.00000
H4 H 0.83238 0.83238 0.03477 1.00000
H5 H 0.23951 0.23951 0.35383 1.00000
H6 H 0.58889 0.58889 0.32663 1.00000
H7 H 0.95982 0.95982 0.90247 1.00000
H8 H 0.39835 0.39835 0.33483 1.00000
H9 H 0.76049 0.76049 0.64617 1.00000
H10 H 0.16762 0.16762 0.96523 1.00000
Pd1 Pd 0.40625 0.40625 0.98683 1.00000
Pd2 Pd 0.80939 0.80939 0.34784 1.00000
Pd3 Pd 0.19061 0.19061 0.65216 1.00000
Pd4 Pd 0.59375 0.59375 0.01317 1.00000
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