Nb2V2W5
Alexandria ALEXAlex-ID: agm005567992 · 空间群: Ima2 (#46)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_202_spg46
Nb2V3W V2W5 NbW
2023-06-03 11:53:11.833241
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005567992).
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 agm005567992
data_agm005567992
_cell_length_a 6.47390
_cell_length_b 7.30603
_cell_length_c 8.22316
_cell_angle_alpha 116.37456
_cell_angle_beta 113.18103
_cell_angle_gamma 90.00000
_cell_volume 313.02178
_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
Nb1 Nb 0.01819 0.00000 0.00000 1.00000
Nb2 Nb 0.51819 0.50000 0.00000 1.00000
Nb3 Nb 0.24362 0.26480 0.50000 1.00000
Nb4 Nb 0.74362 0.73520 0.50000 1.00000
V1 V 0.50432 0.12489 0.26619 1.00000
V2 V 0.23813 0.87511 0.73381 1.00000
V3 V 0.00432 0.64130 0.26619 1.00000
V4 V 0.73813 0.35870 0.73381 1.00000
W1 W 0.13500 0.25827 0.89324 1.00000
W2 W 0.24176 0.74173 0.10676 1.00000
W3 W 0.63500 0.13496 0.89324 1.00000
W4 W 0.74176 0.86504 0.10676 1.00000
W5 W 0.32308 0.44287 0.28572 1.00000
W6 W 0.03736 0.55713 0.71428 1.00000
W7 W 0.82308 0.34285 0.28572 1.00000
W8 W 0.53736 0.65715 0.71428 1.00000
W9 W 0.92254 0.05433 0.50000 1.00000
W10 W 0.42254 0.94567 0.50000 1.00000
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