Sm(H4Pd)3
Alexandria ALEXAlex-ID: agm007306889 · 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
AB3C12_1013_spg1
H4Pd SmH4Pd
2025-05-27 23:47:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007306889).
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 agm007306889
data_agm007306889
_cell_length_a 5.13548
_cell_length_b 5.09672
_cell_length_c 6.82139
_cell_angle_alpha 100.65866
_cell_angle_beta 88.38099
_cell_angle_gamma 120.07958
_cell_volume 151.39696
_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 0.03677 0.88751 0.95705 1.00000
H1 H 0.75383 0.51183 0.64298 1.00000
H2 H 0.51375 0.34735 0.98418 1.00000
H3 H 0.77277 0.39426 0.68889 1.00000
H4 H 0.57832 0.89841 0.98051 1.00000
H5 H 0.07861 0.30277 0.26302 1.00000
H6 H 0.42226 0.99902 0.29691 1.00000
H7 H 0.93565 0.97152 0.66882 1.00000
H8 H 0.27373 0.03149 0.37130 1.00000
H9 H 0.06106 0.43834 0.97921 1.00000
H10 H 0.75036 0.65855 0.26969 1.00000
H11 H 0.26580 0.85017 0.63949 1.00000
H12 H 0.34764 0.78986 0.69452 1.00000
Pd1 Pd 0.94778 0.03701 0.42678 1.00000
Pd2 Pd 0.40085 0.60339 0.12700 1.00000
Pd3 Pd 0.73579 0.27852 0.13467 1.00000
获取直接链接