CeNd(WN3)2
Alexandria ALEXAlex-ID: agm014100733 · 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
NdWN3 CeWN3
2024-12-31 13:30:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014100733).
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 agm014100733
data_agm014100733
_cell_length_a 7.39487
_cell_length_b 7.39487
_cell_length_c 6.38199
_cell_angle_alpha 75.35613
_cell_angle_beta 104.64387
_cell_angle_gamma 95.95122
_cell_volume 326.39334
_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
Ce1 Ce 0.69628 0.69628 0.75000 1.00000
Ce2 Ce 0.30372 0.30372 0.25000 1.00000
Nd1 Nd 0.09223 0.09223 0.75000 1.00000
Nd2 Nd 0.90777 0.90777 0.25000 1.00000
W1 W 0.20391 0.61915 0.75846 1.00000
W2 W 0.61915 0.20391 0.74154 1.00000
W3 W 0.79609 0.38085 0.24154 1.00000
W4 W 0.38085 0.79609 0.25846 1.00000
N1 N 0.00165 0.77469 0.65598 1.00000
N2 N 0.77469 0.00165 0.84402 1.00000
N3 N 0.99835 0.22531 0.34402 1.00000
N4 N 0.22531 0.99835 0.15598 1.00000
N5 N 0.12259 0.38100 0.86056 1.00000
N6 N 0.38100 0.12259 0.63944 1.00000
N7 N 0.87741 0.61900 0.13944 1.00000
N8 N 0.61900 0.87741 0.36056 1.00000
N9 N 0.33958 0.63305 0.52846 1.00000
N10 N 0.63305 0.33958 0.97154 1.00000
N11 N 0.66042 0.36695 0.47154 1.00000
N12 N 0.36695 0.66042 0.02846 1.00000
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