V5GeOs6
Alexandria ALEXAlex-ID: agm006136262 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_47_spg65
V5Os3 Ge2Os VOs5
2023-09-11 04:24:32.751608
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136262).
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 agm006136262
data_agm006136262
_cell_length_a 4.26201
_cell_length_b 6.02170
_cell_length_c 6.80907
_cell_angle_alpha 89.99990
_cell_angle_beta 108.28851
_cell_angle_gamma 89.99992
_cell_volume 165.92473
_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
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.83694 0.74990 0.67451 1.00000
Os2 Os 0.83694 0.25010 0.67451 1.00000
Os3 Os 0.50000 0.24683 1.00000 1.00000
Os4 Os 0.50000 0.75317 0.00000 1.00000
Os5 Os 0.16306 0.74990 0.32549 1.00000
Os6 Os 0.16306 0.25010 0.32549 1.00000
V1 V 0.66954 0.50000 0.33846 1.00000
V2 V 0.32578 1.00000 0.65190 1.00000
V3 V 0.00000 0.50000 0.00000 1.00000
V4 V 0.67422 0.00000 0.34810 1.00000
V5 V 0.33046 0.50000 0.66154 1.00000
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