Zr2Nb5W2
Alexandria ALEXAlex-ID: agm009792950 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_485_spg2
Nb15W Zr ZrW2
2024-06-28 10:08:13.939320
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009792950).
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
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# CIF generated by HEAS from Alexandria entry agm009792950
data_agm009792950
_cell_length_a 5.57099
_cell_length_b 5.57099
_cell_length_c 10.06772
_cell_angle_alpha 72.11423
_cell_angle_beta 72.11423
_cell_angle_gamma 34.62194
_cell_volume 168.09122
_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
Zr1 Zr 0.99149 0.99149 0.17099 1.00000
Zr2 Zr 0.00851 0.00851 0.82901 1.00000
Nb1 Nb 0.33533 0.33533 0.71169 1.00000
Nb2 Nb 0.66467 0.66467 0.28831 1.00000
Nb3 Nb 0.31339 0.31339 0.06430 1.00000
Nb4 Nb 0.68661 0.68661 0.93570 1.00000
Nb5 Nb 0.00000 0.00000 0.50000 1.00000
W1 W 0.32269 0.32269 0.40002 1.00000
W2 W 0.67731 0.67731 0.59998 1.00000
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