Mn2Os6Ru
Alexandria ALEXAlex-ID: agm005708998 · 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
AB2C6_2180_spg15
MnOs3 OsRu2 MnOs
2023-07-08 19:07:46.516668
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708998).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005708998
data_agm005708998
_cell_length_a 8.37341
_cell_length_b 7.31842
_cell_length_c 7.31842
_cell_angle_alpha 58.76079
_cell_angle_beta 50.26291
_cell_angle_gamma 50.26292
_cell_volume 260.57568
_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 0.11288 0.59881 0.79149 1.00000
Mn2 Mn 0.38712 0.20851 0.40119 1.00000
Mn3 Mn 0.88712 0.40119 0.20851 1.00000
Mn4 Mn 0.61288 0.79149 0.59881 1.00000
Os1 Os 0.44326 0.70905 0.48560 1.00000
Os2 Os 0.05674 0.51440 0.29095 1.00000
Os3 Os 0.55674 0.29095 0.51440 1.00000
Os4 Os 0.94326 0.48560 0.70905 1.00000
Os5 Os 0.02059 0.91497 0.35152 1.00000
Os6 Os 0.47941 0.64848 0.08503 1.00000
Os7 Os 0.97941 0.08503 0.64848 1.00000
Os8 Os 0.52059 0.35152 0.91497 1.00000
Os9 Os 0.19663 0.80603 0.91097 1.00000
Os10 Os 0.30337 0.08903 0.19397 1.00000
Os11 Os 0.80337 0.19397 0.08903 1.00000
Os12 Os 0.69663 0.91097 0.80603 1.00000
Ru1 Ru 0.25000 0.12976 0.87024 1.00000
Ru2 Ru 0.75000 0.87024 0.12976 1.00000
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