Al(VW3)2
Alexandria ALEXAlex-ID: agm005662009 · 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
AB2C6_734_spg12
VW5 Al3V V2W5
2023-07-12 08:08:15.154149
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662009).
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 agm005662009
data_agm005662009
_cell_length_a 4.45136
_cell_length_b 5.16998
_cell_length_c 10.27373
_cell_angle_alpha 141.12371
_cell_angle_beta 102.49706
_cell_angle_gamma 90.00784
_cell_volume 139.28804
_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
Al1 Al 0.00001 0.00002 0.00001 1.00000
V1 V 0.88934 0.13060 0.77904 1.00000
V2 V 0.11065 0.86935 0.22094 1.00000
W1 W 0.77770 0.22481 0.55581 1.00000
W2 W 0.22231 0.77522 0.44421 1.00000
W3 W 0.33400 0.66977 0.66856 1.00000
W4 W 0.55649 0.45286 0.11275 1.00000
W5 W 0.44351 0.54714 0.88725 1.00000
W6 W 0.66599 0.33023 0.33144 1.00000
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