Nb2OsRu
Alexandria ALEXAlex-ID: agm005705270 · 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
ABC2_8432_spg2
Nb3Os2 Nb3Ru5 Os
2023-07-14 16:19:50.292810
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705270).
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 agm005705270
data_agm005705270
_cell_length_a 4.60122
_cell_length_b 5.54026
_cell_length_c 5.54026
_cell_angle_alpha 67.17624
_cell_angle_beta 94.68237
_cell_angle_gamma 94.68236
_cell_volume 129.54766
_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
Nb1 Nb 0.26569 0.63124 0.13318 1.00000
Nb2 Nb 0.73431 0.86682 0.36876 1.00000
Nb3 Nb 0.73431 0.36876 0.86682 1.00000
Nb4 Nb 0.26569 0.13318 0.63124 1.00000
Os1 Os 0.76826 0.86574 0.86574 1.00000
Os2 Os 0.23174 0.13426 0.13426 1.00000
Ru1 Ru 0.77493 0.36277 0.36277 1.00000
Ru2 Ru 0.22507 0.63723 0.63723 1.00000
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