AcCe(WN3)2
Alexandria ALEXAlex-ID: agm064031270 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_262_spg15
AcWN3 CeWN3
2024-12-22 13:23:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm064031270).
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 agm064031270
data_agm064031270
_cell_length_a 7.42678
_cell_length_b 7.42678
_cell_length_c 6.30660
_cell_angle_alpha 77.74106
_cell_angle_beta 102.25894
_cell_angle_gamma 93.05755
_cell_volume 332.15806
_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
Ac1 Ac 0.68692 0.68692 0.25000 1.00000
Ac2 Ac 0.31308 0.31308 0.75000 1.00000
Ce1 Ce 0.09314 0.09314 0.25000 1.00000
Ce2 Ce 0.90686 0.90686 0.75000 1.00000
W1 W 0.62119 0.19988 0.27052 1.00000
W2 W 0.19988 0.62119 0.22948 1.00000
W3 W 0.37881 0.80012 0.72948 1.00000
W4 W 0.80012 0.37881 0.77052 1.00000
N1 N 0.78743 0.00580 0.35951 1.00000
N2 N 0.00580 0.78743 0.14049 1.00000
N3 N 0.21257 0.99420 0.64049 1.00000
N4 N 0.99420 0.21257 0.85951 1.00000
N5 N 0.39041 0.11831 0.16483 1.00000
N6 N 0.11831 0.39041 0.33517 1.00000
N7 N 0.60959 0.88169 0.83517 1.00000
N8 N 0.88169 0.60959 0.66483 1.00000
N9 N 0.63033 0.32757 0.51302 1.00000
N10 N 0.32757 0.63033 0.98698 1.00000
N11 N 0.36967 0.67243 0.48698 1.00000
N12 N 0.67243 0.36967 0.01302 1.00000
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