NbV3Re
Alexandria ALEXAlex-ID: agm005779385 · 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
ABC3_5589_spg12
Nb2V3Re V3Re
2023-07-06 03:43:59.116452
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779385).
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 agm005779385
data_agm005779385
_cell_length_a 4.30494
_cell_length_b 5.33818
_cell_length_c 6.78612
_cell_angle_alpha 98.30084
_cell_angle_beta 108.49294
_cell_angle_gamma 90.00000
_cell_volume 146.17220
_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 0.80199 0.85116 0.60399 1.00000
Nb2 Nb 0.19801 0.14884 0.39601 1.00000
V1 V 0.00082 0.74879 0.00164 1.00000
V2 V 0.99918 0.25121 0.99836 1.00000
V3 V 0.40410 0.05059 0.80820 1.00000
V4 V 0.59590 0.94941 0.19180 1.00000
V5 V 0.19626 0.64370 0.39251 1.00000
V6 V 0.80374 0.35630 0.60749 1.00000
Re1 Re 0.59818 0.45143 0.19636 1.00000
Re2 Re 0.40182 0.54857 0.80364 1.00000
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