V3ReRu
Alexandria ALEXAlex-ID: agm005773749 · 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_6983_spg12
V5ReRu2 VRe
2023-07-08 03:47:43.940744
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773749).
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 agm005773749
data_agm005773749
_cell_length_a 5.00794
_cell_length_b 4.21733
_cell_length_c 7.85076
_cell_angle_alpha 105.57411
_cell_angle_beta 67.19277
_cell_angle_gamma 114.86918
_cell_volume 137.56510
_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
V1 V 0.74618 0.24753 0.24841 1.00000
V2 V 0.25109 0.35071 0.95039 1.00000
V3 V 0.74891 0.64929 0.04961 1.00000
V4 V 0.25382 0.75247 0.75159 1.00000
V5 V 0.23956 0.54565 0.35093 1.00000
V6 V 0.76044 0.45435 0.64907 1.00000
Re1 Re 0.75389 0.05180 0.84991 1.00000
Re2 Re 0.24611 0.94820 0.15009 1.00000
Ru1 Ru 0.26619 0.15795 0.55000 1.00000
Ru2 Ru 0.73381 0.84205 0.45000 1.00000
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