Ru2(CN2)3
Alexandria ALEXAlex-ID: agm005508600 · 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
A2B3C6_108_spg12
N2 C RuN2
2023-03-15 10:38:51.642857
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508600).
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 agm005508600
data_agm005508600
_cell_length_a 10.22316
_cell_length_b 3.26455
_cell_length_c 5.13590
_cell_angle_alpha 90.00000
_cell_angle_beta 59.56243
_cell_angle_gamma 80.81259
_cell_volume 145.22634
_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
Ru1 Ru 0.35442 0.82279 0.06423 1.00000
Ru2 Ru 0.64558 0.17721 0.93577 1.00000
C1 C 0.63576 0.68212 0.44725 1.00000
C2 C 0.36424 0.31788 0.55275 1.00000
C3 C 0.00000 0.00000 0.50000 1.00000
N1 N 0.33524 0.33238 0.81341 1.00000
N2 N 0.66476 0.66762 0.18659 1.00000
N3 N 0.40353 0.29823 0.27656 1.00000
N4 N 0.59647 0.70177 0.72344 1.00000
N5 N 0.14084 0.92958 0.34784 1.00000
N6 N 0.85916 0.07042 0.65216 1.00000
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