NaRuO2
Alexandria ALEXAlex-ID: agm005491195 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_1160_spg12
Na2RuO3 RuO2 Ru
2023-03-19 02:58:58.237152
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005491195).
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 agm005491195
data_agm005491195
_cell_length_a 3.21101
_cell_length_b 5.09231
_cell_length_c 5.77896
_cell_angle_alpha 106.14686
_cell_angle_beta 90.02897
_cell_angle_gamma 89.99593
_cell_volume 90.76668
_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 0.58172 0.86906 0.99424 1.00000
Na2 Na 0.08149 0.36922 0.98386 1.00000
Ru1 Ru 0.08133 0.53761 0.50111 1.00000
Ru2 Ru 0.58133 0.01079 0.50646 1.00000
O1 O 0.58148 0.42823 0.69316 1.00000
O2 O 0.08153 0.93932 0.72057 1.00000
O3 O 0.08118 0.12131 0.31421 1.00000
O4 O 0.58120 0.60790 0.28550 1.00000
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