Mn4Cr2Os3
Alexandria ALEXAlex-ID: agm005663045 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_365_spg12
MnCr15 Mn24Os5 MnOs
2023-06-26 22:10:01.797426
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663045).
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 agm005663045
data_agm005663045
_cell_length_a 4.02449
_cell_length_b 4.79995
_cell_length_c 7.43841
_cell_angle_alpha 119.19562
_cell_angle_beta 90.00076
_cell_angle_gamma 114.78548
_cell_volume 110.02459
_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 0.72508 0.45015 0.05450 1.00000
Mn2 Mn 0.27492 0.54985 0.94550 1.00000
Mn3 Mn 0.94662 0.89327 0.61188 1.00000
Mn4 Mn 0.05338 0.10673 0.38812 1.00000
Cr1 Cr 0.61304 0.22605 0.27668 1.00000
Cr2 Cr 0.38696 0.77395 0.72332 1.00000
Os1 Os 0.66617 0.33237 0.66684 1.00000
Os2 Os 0.00000 0.00000 0.00000 1.00000
Os3 Os 0.33383 0.66763 0.33316 1.00000
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