Nb6Os3N
Alexandria ALEXAlex-ID: agm003580741 · 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
AB3C6_686_spg12
Nb3Os2 Nb2N Os
2022-03-30 08:23:14.783057
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003580741).
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 agm003580741
data_agm003580741
_cell_length_a 5.09645
_cell_length_b 5.97257
_cell_length_c 5.97257
_cell_angle_alpha 74.66461
_cell_angle_beta 77.11882
_cell_angle_gamma 77.11882
_cell_volume 168.29321
_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 0.30353 0.19707 0.61033 1.00000
Nb2 Nb 0.69647 0.38967 0.80293 1.00000
Nb3 Nb 0.69647 0.80293 0.38967 1.00000
Nb4 Nb 0.30353 0.61033 0.19707 1.00000
Nb5 Nb 0.15213 0.70056 0.70056 1.00000
Nb6 Nb 0.84787 0.29944 0.29944 1.00000
Os1 Os 0.37220 0.14906 0.14906 1.00000
Os2 Os 0.62780 0.85094 0.85094 1.00000
Os3 Os 0.00000 0.00000 0.00000 1.00000
N1 N 0.50000 0.50000 0.50000 1.00000
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