Na(H2Ru)4
Alexandria ALEXAlex-ID: agm007337528 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_151_spg2
H8Ru3 Na2H7Ru Ru
2024-02-09 09:59:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007337528).
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 agm007337528
data_agm007337528
_cell_length_a 4.71103
_cell_length_b 5.41761
_cell_length_c 5.73983
_cell_angle_alpha 103.88100
_cell_angle_beta 97.38877
_cell_angle_gamma 90.01772
_cell_volume 140.96188
_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
Na1 Na 0.00000 0.00000 0.50000 1.00000
H1 H 0.11207 0.66540 0.17745 1.00000
H2 H 0.61185 0.42260 0.18604 1.00000
H3 H 0.60393 0.92138 0.18219 1.00000
H4 H 0.11594 0.17365 0.17659 1.00000
H5 H 0.88406 0.82635 0.82341 1.00000
H6 H 0.39607 0.07862 0.81781 1.00000
H7 H 0.38815 0.57740 0.81396 1.00000
H8 H 0.88793 0.33460 0.82255 1.00000
Ru1 Ru 0.74961 0.12685 0.00326 1.00000
Ru2 Ru 0.25039 0.87315 0.99674 1.00000
Ru3 Ru 0.25204 0.37446 0.99466 1.00000
Ru4 Ru 0.74796 0.62554 0.00534 1.00000
获取直接链接