Er3Mn7Os2
Alexandria ALEXAlex-ID: agm024863106 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_54_spg12
ErMnOs Er5Os2 Mn
2025-05-17 02:03:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024863106).
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 agm024863106
data_agm024863106
_cell_length_a 5.15178
_cell_length_b 5.15178
_cell_length_c 8.75125
_cell_angle_alpha 72.89731
_cell_angle_beta 107.10269
_cell_angle_gamma 120.02069
_cell_volume 189.15789
_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
Er1 Er 0.00000 0.00000 0.50000 1.00000
Er2 Er 0.85793 0.14207 0.07389 1.00000
Er3 Er 0.14207 0.85793 0.92611 1.00000
Mn1 Mn 0.50000 0.50000 0.00000 1.00000
Mn2 Mn 0.41567 0.08470 0.24670 1.00000
Mn3 Mn 0.91530 0.58433 0.24670 1.00000
Mn4 Mn 0.41611 0.58389 0.24732 1.00000
Mn5 Mn 0.58433 0.91530 0.75330 1.00000
Mn6 Mn 0.58389 0.41611 0.75268 1.00000
Mn7 Mn 0.08470 0.41567 0.75330 1.00000
Os1 Os 0.66844 0.33156 0.50353 1.00000
Os2 Os 0.33156 0.66844 0.49647 1.00000
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