Nb3Os2
Alexandria ALEXAlex-ID: agm003239591 · 空间群: Cmm2 (#35)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_122_spg35
Nb3Os2
2021-12-15 05:19:00.278292
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003239591).
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 agm003239591
data_agm003239591
_cell_length_a 9.91934
_cell_length_b 9.91934
_cell_length_c 5.09870
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.10470
_cell_volume 501.67703
_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 0.89528 0.89528 0.49503 1.00000
Nb2 Nb 0.10472 0.10472 0.49503 1.00000
Nb3 Nb 0.60213 0.39787 0.00995 1.00000
Nb4 Nb 0.39787 0.60213 0.00995 1.00000
Nb5 Nb 0.62809 0.96169 0.49831 1.00000
Nb6 Nb 0.37191 0.03831 0.49831 1.00000
Nb7 Nb 0.87076 0.46563 0.99663 1.00000
Nb8 Nb 0.12924 0.53437 0.99663 1.00000
Nb9 Nb 0.03831 0.37191 0.49831 1.00000
Nb10 Nb 0.96169 0.62809 0.49831 1.00000
Nb11 Nb 0.53437 0.12924 0.99663 1.00000
Nb12 Nb 0.46563 0.87076 0.99663 1.00000
Nb13 Nb 0.81890 0.18110 0.24916 1.00000
Nb14 Nb 0.18110 0.81890 0.24916 1.00000
Nb15 Nb 0.31960 0.31960 0.24868 1.00000
Nb16 Nb 0.68040 0.68040 0.24868 1.00000
Nb17 Nb 0.18135 0.81865 0.74909 1.00000
Nb18 Nb 0.81865 0.18135 0.74909 1.00000
Os1 Os 0.50000 0.50000 0.52770 1.00000
Os2 Os 0.00000 0.00000 0.99721 1.00000
Os3 Os 0.56534 0.24389 0.50124 1.00000
Os4 Os 0.43466 0.75611 0.50124 1.00000
Os5 Os 0.92947 0.74144 0.99639 1.00000
Os6 Os 0.07053 0.25856 0.99639 1.00000
Os7 Os 0.75611 0.43466 0.50124 1.00000
Os8 Os 0.24389 0.56534 0.50124 1.00000
Os9 Os 0.25856 0.07053 0.99639 1.00000
Os10 Os 0.74144 0.92947 0.99639 1.00000
Os11 Os 0.68077 0.68077 0.75052 1.00000
Os12 Os 0.31923 0.31923 0.75052 1.00000
