P3Ru2
Alexandria ALEXAlex-ID: agm005508192 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_557_spg43
PRu P2Ru
2023-03-20 12:26:02.150119
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508192).
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 agm005508192
data_agm005508192
_cell_length_a 8.39342
_cell_length_b 6.67631
_cell_length_c 5.86549
_cell_angle_alpha 83.74917
_cell_angle_beta 52.25027
_cell_angle_gamma 44.00056
_cell_volume 143.94704
_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 0.19233 0.19431 0.04358 1.00000
P2 P 0.56978 0.04358 0.19431 1.00000
P3 P 0.20642 0.68022 0.05767 1.00000
P4 P 0.05569 0.05767 0.68022 1.00000
P5 P 0.94428 0.55572 0.55572 1.00000
P6 P 0.69428 0.30572 0.30572 1.00000
Ru1 Ru 0.80103 0.02727 0.67912 1.00000
Ru2 Ru 0.49259 0.67912 0.02727 1.00000
Ru3 Ru 0.57088 0.75741 0.44897 1.00000
Ru4 Ru 0.22273 0.44897 0.75741 1.00000
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