Nb2V4W5
Alexandria ALEXAlex-ID: agm005669715 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_613_spg12
Nb2V3W V2W5 NbW
2023-06-22 17:53:27.871225
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669715).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005669715
data_agm005669715
_cell_length_a 2.76430
_cell_length_b 6.74841
_cell_length_c 9.47670
_cell_angle_alpha 94.33715
_cell_angle_beta 78.62892
_cell_angle_gamma 97.77032
_cell_volume 171.50437
_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 0.86731 0.19303 0.54540 1.00000
Nb2 Nb 0.13269 0.80697 0.45460 1.00000
V1 V 0.41908 0.45250 0.35406 1.00000
V2 V 0.22506 0.36539 0.08887 1.00000
V3 V 0.58092 0.54750 0.64594 1.00000
V4 V 0.77494 0.63461 0.91113 1.00000
W1 W 0.68695 0.09632 0.26657 1.00000
W2 W 0.31305 0.90368 0.73343 1.00000
W3 W 0.95210 0.71792 0.17577 1.00000
W4 W 0.50000 0.00000 0.00000 1.00000
W5 W 0.04790 0.28208 0.82423 1.00000
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