TbCe(WN3)2
Alexandria ALEXAlex-ID: agm079196008 · 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_417_spg15
TbWN3 CeWN3
2025-01-09 19:55:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079196008).
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 agm079196008
data_agm079196008
_cell_length_a 7.27888
_cell_length_b 7.27888
_cell_length_c 6.22896
_cell_angle_alpha 76.10971
_cell_angle_beta 103.89029
_cell_angle_gamma 96.42021
_cell_volume 310.48931
_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 0.91117 0.91117 0.25000 1.00000
Tb2 Tb 0.08883 0.08883 0.75000 1.00000
Ce1 Ce 0.69360 0.69360 0.75000 1.00000
Ce2 Ce 0.30640 0.30640 0.25000 1.00000
W1 W 0.61776 0.20033 0.75364 1.00000
W2 W 0.38224 0.79967 0.24636 1.00000
W3 W 0.20033 0.61776 0.74636 1.00000
W4 W 0.79967 0.38224 0.25364 1.00000
N1 N 0.78106 0.00195 0.85237 1.00000
N2 N 0.21894 0.99805 0.14763 1.00000
N3 N 0.00195 0.78106 0.64763 1.00000
N4 N 0.99805 0.21894 0.35237 1.00000
N5 N 0.62193 0.88663 0.35252 1.00000
N6 N 0.37807 0.11337 0.64748 1.00000
N7 N 0.88663 0.62193 0.14748 1.00000
N8 N 0.11337 0.37807 0.85252 1.00000
N9 N 0.62394 0.33882 0.98609 1.00000
N10 N 0.37606 0.66118 0.01391 1.00000
N11 N 0.33882 0.62394 0.51391 1.00000
N12 N 0.66118 0.37606 0.48609 1.00000
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