Mn2Os4Ru3
Alexandria ALEXAlex-ID: agm005649084 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_573_spg15
MnOs3 OsRu2 MnOs
2023-06-27 10:50:46.058168
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649084).
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 agm005649084
data_agm005649084
_cell_length_a 4.60186
_cell_length_b 7.63067
_cell_length_c 7.63066
_cell_angle_alpha 71.60241
_cell_angle_beta 82.61458
_cell_angle_gamma 82.61443
_cell_volume 251.04367
_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
Mn1 Mn 0.21045 0.73304 0.48144 1.00000
Mn2 Mn 0.28955 0.51856 0.26696 1.00000
Mn3 Mn 0.78955 0.26696 0.51856 1.00000
Mn4 Mn 0.71045 0.48144 0.73304 1.00000
Os1 Os 0.52242 0.05275 0.82411 1.00000
Os2 Os 0.97758 0.17589 0.94725 1.00000
Os3 Os 0.47758 0.94725 0.17589 1.00000
Os4 Os 0.02242 0.82411 0.05275 1.00000
Os5 Os 0.61210 0.82465 0.62322 1.00000
Os6 Os 0.88790 0.37678 0.17535 1.00000
Os7 Os 0.38790 0.17535 0.37678 1.00000
Os8 Os 0.11210 0.62322 0.82465 1.00000
Ru1 Ru 0.08246 0.98523 0.67407 1.00000
Ru2 Ru 0.41754 0.32593 0.01477 1.00000
Ru3 Ru 0.91754 0.01477 0.32593 1.00000
Ru4 Ru 0.58246 0.67407 0.98523 1.00000
Ru5 Ru 0.25000 0.37546 0.62454 1.00000
Ru6 Ru 0.75000 0.62454 0.37546 1.00000
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