NaWBr6
Alexandria ALEXAlex-ID: agm003763005 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_206_spg148
WBr6 NaW6Br13 NaBr
2022-04-20 04:30:28.606658
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003763005).
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 agm003763005
data_agm003763005
_cell_length_a 6.90037
_cell_length_b 6.90276
_cell_length_c 7.40623
_cell_angle_alpha 62.25499
_cell_angle_beta 62.25351
_cell_angle_gamma 60.00145
_cell_volume 257.61350
_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 0.50000 0.50000 0.50000 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.05173 0.38659 0.77009 1.00000
Br2 Br 0.79120 0.05170 0.77016 1.00000
Br3 Br 0.61328 0.20862 0.22998 1.00000
Br4 Br 0.20880 0.94830 0.22984 1.00000
Br5 Br 0.94827 0.61341 0.22991 1.00000
Br6 Br 0.38672 0.79138 0.77002 1.00000
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