Mn3OsRu
Alexandria ALEXAlex-ID: agm005778262 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_8208_spg14
OsRu5 Mn24Os5 MnOs
2023-07-04 19:29:44.205099
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778262).
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 agm005778262
data_agm005778262
_cell_length_a 8.18834
_cell_length_b 6.51918
_cell_length_c 6.87356
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 135.74105
_cell_volume 256.07391
_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 0.35535 0.24870 0.02822 1.00000
Mn2 Mn 0.64465 0.75130 0.97178 1.00000
Mn3 Mn 0.14465 0.25130 0.52822 1.00000
Mn4 Mn 0.85535 0.74870 0.47178 1.00000
Mn5 Mn 0.34547 0.74897 0.52615 1.00000
Mn6 Mn 0.65453 0.25103 0.47385 1.00000
Mn7 Mn 0.15453 0.75103 0.02615 1.00000
Mn8 Mn 0.84547 0.24897 0.97385 1.00000
Mn9 Mn 0.49397 0.92714 0.17944 1.00000
Mn10 Mn 0.50603 0.07286 0.82056 1.00000
Mn11 Mn 0.00603 0.57286 0.67944 1.00000
Mn12 Mn 0.99397 0.42714 0.32056 1.00000
Os1 Os 0.50512 0.58883 0.31722 1.00000
Os2 Os 0.49488 0.41117 0.68278 1.00000
Os3 Os 0.99488 0.91117 0.81722 1.00000
Os4 Os 0.00512 0.08883 0.18278 1.00000
Ru1 Ru 0.24471 0.49094 0.86830 1.00000
Ru2 Ru 0.75529 0.50906 0.13170 1.00000
Ru3 Ru 0.25529 0.00906 0.36830 1.00000
Ru4 Ru 0.74471 0.99094 0.63170 1.00000
