Ta6V5Ru
Alexandria ALEXAlex-ID: agm006132425 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_53_spg71
Ta7Ru TaV2 Ta2V3Ru
2023-09-11 04:03:56.301177
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006132425).
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 agm006132425
data_agm006132425
_cell_length_a 4.48684
_cell_length_b 6.33794
_cell_length_c 7.74478
_cell_angle_alpha 114.15255
_cell_angle_beta 106.83751
_cell_angle_gamma 90.00148
_cell_volume 190.56544
_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
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
V1 V 0.66962 0.16962 0.33923 1.00000
V2 V 0.33501 0.33501 0.67001 1.00000
V3 V 0.00000 0.50000 0.00000 1.00000
V4 V 0.66499 0.66499 0.32999 1.00000
V5 V 0.33038 0.83038 0.66077 1.00000
Ta1 Ta 0.83319 0.58244 0.66639 1.00000
Ta2 Ta 0.83320 0.08395 0.66639 1.00000
Ta3 Ta 0.50000 0.74915 1.00000 1.00000
Ta4 Ta 0.50000 0.25085 0.00000 1.00000
Ta5 Ta 0.16680 0.91605 0.33361 1.00000
Ta6 Ta 0.16681 0.41756 0.33361 1.00000
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