V(OsRu3)2
Alexandria ALEXAlex-ID: agm005652135 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1980_spg2
OsRu2 OsRu5 V3Ru5
2023-07-10 14:14:17.935143
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652135).
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 agm005652135
data_agm005652135
_cell_length_a 5.10751
_cell_length_b 6.41204
_cell_length_c 8.17087
_cell_angle_alpha 90.07259
_cell_angle_beta 105.39297
_cell_angle_gamma 103.21410
_cell_volume 250.61481
_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 0.89136 0.14026 0.23242 1.00000
V2 V 0.10864 0.85974 0.76758 1.00000
Os1 Os 0.43932 0.19473 0.32136 1.00000
Os2 Os 0.77854 0.52637 0.21381 1.00000
Os3 Os 0.56068 0.80527 0.67864 1.00000
Os4 Os 0.22146 0.47363 0.78619 1.00000
Ru1 Ru 0.22177 0.47287 0.45493 1.00000
Ru2 Ru 0.55801 0.80519 0.01014 1.00000
Ru3 Ru 0.77823 0.52713 0.54507 1.00000
Ru4 Ru 0.44199 0.19481 0.98986 1.00000
Ru5 Ru 0.77493 0.52805 0.87980 1.00000
Ru6 Ru 0.44596 0.19108 0.65850 1.00000
Ru7 Ru 0.22507 0.47195 0.12020 1.00000
Ru8 Ru 0.55404 0.80892 0.34150 1.00000
Ru9 Ru 0.11350 0.86146 0.10197 1.00000
Ru10 Ru 0.10950 0.85994 0.43285 1.00000
Ru11 Ru 0.88650 0.13854 0.89803 1.00000
Ru12 Ru 0.89050 0.14006 0.56715 1.00000
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