V5(ReW2)2
Alexandria ALEXAlex-ID: agm005676517 · 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
A2B4C5_176_spg12
V5Re3 V2Re V2W5
2023-06-22 18:54:01.269854
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676517).
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 agm005676517
data_agm005676517
_cell_length_a 2.57258
_cell_length_b 6.93363
_cell_length_c 9.52678
_cell_angle_alpha 91.22385
_cell_angle_beta 97.75976
_cell_angle_gamma 89.99987
_cell_volume 168.33727
_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
V1 V 0.81632 0.53597 0.63264 1.00000
V2 V 0.18368 0.46403 0.36736 1.00000
V3 V 0.86671 0.92303 0.73342 1.00000
V4 V 0.50000 0.00000 0.00000 1.00000
V5 V 0.13329 0.07697 0.26658 1.00000
Re1 Re 0.40902 0.28057 0.81803 1.00000
Re2 Re 0.59098 0.71943 0.18197 1.00000
W1 W 0.27158 0.18196 0.54316 1.00000
W2 W 0.95491 0.64593 0.90981 1.00000
W3 W 0.72842 0.81804 0.45684 1.00000
W4 W 0.04509 0.35407 0.09019 1.00000
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