TbNd(WN3)2
Alexandria ALEXAlex-ID: agm017134638 · 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_13_spg15
TbNd(WN3)2
2024-09-14 05:01:06.675048
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017134638).
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 agm017134638
data_agm017134638
_cell_length_a 7.31997
_cell_length_b 7.31997
_cell_length_c 6.24798
_cell_angle_alpha 75.80478
_cell_angle_beta 75.80478
_cell_angle_gamma 83.24351
_cell_volume 314.05671
_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
Tb1 Tb 0.91148 0.08852 0.75000 1.00000
Tb2 Tb 0.08852 0.91148 0.25000 1.00000
Nd1 Nd 0.30494 0.69506 0.75000 1.00000
Nd2 Nd 0.69506 0.30494 0.25000 1.00000
W1 W 0.80118 0.61904 0.74918 1.00000
W2 W 0.38096 0.19882 0.75082 1.00000
W3 W 0.19882 0.38096 0.25082 1.00000
W4 W 0.61904 0.80118 0.24918 1.00000
N1 N 0.99727 0.78217 0.64697 1.00000
N2 N 0.21783 0.00273 0.85303 1.00000
N3 N 0.00273 0.21783 0.35303 1.00000
N4 N 0.78217 0.99727 0.14697 1.00000
N5 N 0.89146 0.38009 0.84164 1.00000
N6 N 0.61991 0.10854 0.65836 1.00000
N7 N 0.10854 0.61991 0.15836 1.00000
N8 N 0.38009 0.89146 0.34164 1.00000
N9 N 0.65672 0.63101 0.52235 1.00000
N10 N 0.36899 0.34328 0.97765 1.00000
N11 N 0.34328 0.36899 0.47765 1.00000
N12 N 0.63101 0.65672 0.02235 1.00000
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