PRu5
Alexandria ALEXAlex-ID: agm005449129 · 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
AB5_238_spg8
P2Ru3 Ru
2023-03-21 18:29:50.178114
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005449129).
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 agm005449129
data_agm005449129
_cell_length_a 4.95244
_cell_length_b 4.95244
_cell_length_c 6.53386
_cell_angle_alpha 69.66212
_cell_angle_beta 69.66212
_cell_angle_gamma 33.11918
_cell_volume 81.60129
_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
P1 P 0.97246 0.97246 0.05515 1.00000
Ru1 Ru 0.29710 0.29710 0.37046 1.00000
Ru2 Ru 0.64747 0.64747 0.74062 1.00000
Ru3 Ru 0.60918 0.60918 0.19253 1.00000
Ru4 Ru 0.97202 0.97202 0.55564 1.00000
Ru5 Ru 0.33511 0.33511 0.91894 1.00000
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