V3ReOs
Alexandria ALEXAlex-ID: agm005773945 · 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_7029_spg8
V2Os VRe
2023-07-06 04:12:57.465773
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773945).
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 agm005773945
data_agm005773945
_cell_length_a 2.97579
_cell_length_b 6.68048
_cell_length_c 7.78037
_cell_angle_alpha 106.14537
_cell_angle_beta 101.02498
_cell_angle_gamma 90.00001
_cell_volume 145.59685
_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 0.04488 0.74395 0.08975 1.00000
V2 V 0.95512 0.25605 0.91025 1.00000
V3 V 0.31701 0.09453 0.63402 1.00000
V4 V 0.68299 0.90547 0.36598 1.00000
V5 V 0.22854 0.64025 0.45709 1.00000
V6 V 0.77146 0.35975 0.54291 1.00000
Re1 Re 0.58891 0.45229 0.17782 1.00000
Re2 Re 0.41109 0.54771 0.82218 1.00000
Os1 Os 0.86340 0.82883 0.72679 1.00000
Os2 Os 0.13660 0.17117 0.27321 1.00000
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