Na3W2N5
Alexandria ALEXAlex-ID: agm003247828 · 空间群: I4_1 (#80)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_10_spg80
Na3W2N5
2022-01-02 09:42:38.901556
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003247828).
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 agm003247828
data_agm003247828
_cell_length_a 9.68486
_cell_length_b 9.68486
_cell_length_c 9.68486
_cell_angle_alpha 101.69317
_cell_angle_beta 101.69317
_cell_angle_gamma 126.48832
_cell_volume 652.14377
_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 0.87934 0.54391 0.88065 1.00000
Na2 Na 0.66326 0.99869 0.11935 1.00000
Na3 Na 0.79391 0.41326 0.16457 1.00000
Na4 Na 0.24869 0.62934 0.83543 1.00000
Na5 Na 0.59424 0.82750 0.37806 1.00000
Na6 Na 0.44944 0.21619 0.62194 1.00000
Na7 Na 0.07750 0.19944 0.73326 1.00000
Na8 Na 0.46619 0.34424 0.26674 1.00000
Na9 Na 0.93149 0.93149 0.00000 1.00000
Na10 Na 0.18149 0.68149 0.50000 1.00000
Na11 Na 0.77446 0.27446 0.50000 1.00000
Na12 Na 0.52446 0.52446 0.00000 1.00000
W1 W 0.63778 0.03792 0.77861 1.00000
W2 W 0.25931 0.85917 0.22139 1.00000
W3 W 0.28792 0.00931 0.90015 1.00000
W4 W 0.10917 0.38778 0.09985 1.00000
W5 W 0.88569 0.69954 0.61839 1.00000
W6 W 0.08114 0.26730 0.38161 1.00000
W7 W 0.94954 0.83114 0.31384 1.00000
W8 W 0.51730 0.63569 0.68616 1.00000
N1 N 0.69162 0.21062 0.70681 1.00000
N2 N 0.50380 0.98481 0.29319 1.00000
N3 N 0.46062 0.25380 0.01899 1.00000
N4 N 0.23481 0.44162 0.98101 1.00000
N5 N 0.85627 0.69404 0.11324 1.00000
N6 N 0.58080 0.74303 0.88676 1.00000
N7 N 0.94404 0.33080 0.33777 1.00000
N8 N 0.99303 0.60627 0.66223 1.00000
N9 N 0.85386 0.16812 0.96632 1.00000
N10 N 0.20180 0.88754 0.03368 1.00000
N11 N 0.41812 0.95180 0.81426 1.00000
N12 N 0.13754 0.60386 0.18574 1.00000
N13 N 0.81844 0.65398 0.40153 1.00000
N14 N 0.25245 0.41691 0.59847 1.00000
N15 N 0.90398 0.00245 0.33554 1.00000
N16 N 0.66691 0.56844 0.66446 1.00000
N17 N 0.07458 0.96134 0.75403 1.00000
N18 N 0.20731 0.32056 0.24597 1.00000
N19 N 0.21134 0.95731 0.38675 1.00000
N20 N 0.57056 0.82458 0.61325 1.00000
