Sm(H3Pd2)2
Alexandria ALEXAlex-ID: agm007337486 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_233_spg1
SmH4Pd3 H4Pd HPd
2024-06-24 12:07:43.758935
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007337486).
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 agm007337486
data_agm007337486
_cell_length_a 4.93708
_cell_length_b 5.25480
_cell_length_c 5.06712
_cell_angle_alpha 89.17108
_cell_angle_beta 115.19496
_cell_angle_gamma 109.04563
_cell_volume 111.24369
_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
Sm1 Sm 0.92156 0.10126 0.13925 1.00000
H1 H 0.41452 0.14600 0.69206 1.00000
H2 H 0.81243 0.01836 0.56560 1.00000
H3 H 0.41702 0.76659 0.03339 1.00000
H4 H 0.42923 0.42370 0.23173 1.00000
H5 H 0.79444 0.60902 0.83443 1.00000
H6 H 0.06119 0.55476 0.45915 1.00000
Pd1 Pd 0.41787 0.45141 0.87551 1.00000
Pd2 Pd 0.40001 0.73730 0.38043 1.00000
Pd3 Pd 0.11628 0.86683 0.74800 1.00000
Pd4 Pd 0.71548 0.32468 0.54046 1.00000
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