Sc(Nb4V)2
Alexandria ALEXAlex-ID: agm044149258 · 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
AB2C8_325_spg71
Nb17V NbV2 Sc
2024-10-15 13:50:59.737914
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044149258).
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 agm044149258
data_agm044149258
_cell_length_a 7.23124
_cell_length_b 7.23124
_cell_length_c 7.13155
_cell_angle_alpha 62.15897
_cell_angle_beta 62.15897
_cell_angle_gamma 37.03176
_cell_volume 195.46227
_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
Sc1 Sc 0.50000 0.50000 0.00000 1.00000
Nb1 Nb 0.85230 0.85230 0.20677 1.00000
Nb2 Nb 0.95496 0.95496 0.72648 1.00000
Nb3 Nb 0.31487 0.31487 0.91152 1.00000
Nb4 Nb 0.40065 0.40065 0.46543 1.00000
Nb5 Nb 0.59935 0.59935 0.53457 1.00000
Nb6 Nb 0.68513 0.68513 0.08848 1.00000
Nb7 Nb 0.04504 0.04504 0.27352 1.00000
Nb8 Nb 0.14770 0.14770 0.79323 1.00000
V1 V 0.22868 0.22868 0.36231 1.00000
V2 V 0.77132 0.77132 0.63769 1.00000
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