Nb2VRu3
Alexandria ALEXAlex-ID: agm014094710 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_898_spg74
Nb5VRu6 Nb2VRu5 V2Ru
2024-10-23 00:38:31.121034
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014094710).
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 agm014094710
data_agm014094710
_cell_length_a 7.46058
_cell_length_b 7.46058
_cell_length_c 7.46058
_cell_angle_alpha 146.78915
_cell_angle_beta 125.44967
_cell_angle_gamma 65.37685
_cell_volume 183.07988
_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 0.56893 0.31893 0.25000 1.00000
Nb2 Nb 0.27162 0.02162 0.25000 1.00000
Nb3 Nb 0.43107 0.68107 0.75000 1.00000
Nb4 Nb 0.72838 0.97838 0.75000 1.00000
V1 V 0.91048 0.66048 0.25000 1.00000
V2 V 0.08952 0.33952 0.75000 1.00000
Ru1 Ru 0.29066 0.83183 0.45883 1.00000
Ru2 Ru 0.12700 0.16817 0.95883 1.00000
Ru3 Ru 0.00000 0.50000 0.50000 1.00000
Ru4 Ru 0.70934 0.16817 0.54117 1.00000
Ru5 Ru 0.50000 0.50000 0.00000 1.00000
Ru6 Ru 0.87300 0.83183 0.04117 1.00000
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