HoZr(WN3)2
Alexandria ALEXAlex-ID: agm017288674 · 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_83_spg5
Zr3WN6 W2N3 HoWN3
2024-12-03 13:26:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017288674).
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 agm017288674
data_agm017288674
_cell_length_a 7.34812
_cell_length_b 7.34812
_cell_length_c 6.09983
_cell_angle_alpha 73.17686
_cell_angle_beta 106.82314
_cell_angle_gamma 99.32764
_cell_volume 300.66690
_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
Ho1 Ho 0.71970 0.71970 0.25000 1.00000
Ho2 Ho 0.28030 0.28030 0.75000 1.00000
Zr1 Zr 0.08972 0.08972 0.25000 1.00000
Zr2 Zr 0.91028 0.91028 0.75000 1.00000
W1 W 0.20001 0.62046 0.27189 1.00000
W2 W 0.62046 0.20001 0.22811 1.00000
W3 W 0.79999 0.37954 0.72811 1.00000
W4 W 0.37954 0.79999 0.77189 1.00000
N1 N 0.00705 0.79553 0.14879 1.00000
N2 N 0.79553 0.00705 0.35121 1.00000
N3 N 0.99295 0.20447 0.85121 1.00000
N4 N 0.20447 0.99295 0.64879 1.00000
N5 N 0.11573 0.36759 0.31394 1.00000
N6 N 0.36759 0.11573 0.18606 1.00000
N7 N 0.88427 0.63241 0.68606 1.00000
N8 N 0.63241 0.88427 0.81394 1.00000
N9 N 0.38257 0.66972 0.08829 1.00000
N10 N 0.66972 0.38257 0.41171 1.00000
N11 N 0.61743 0.33028 0.91171 1.00000
N12 N 0.33028 0.61743 0.58829 1.00000
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