Ce5Mn4
Alexandria ALEXAlex-ID: agm009245355 · 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
A4B5_788_spg12
Mn Ce
2024-06-04 18:36:49.659623
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009245355).
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 agm009245355
data_agm009245355
_cell_length_a 4.73151
_cell_length_b 6.27786
_cell_length_c 7.31411
_cell_angle_alpha 117.80235
_cell_angle_beta 108.86331
_cell_angle_gamma 89.98316
_cell_volume 178.89181
_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
Ce1 Ce 0.62872 0.93021 0.25769 1.00000
Ce2 Ce 0.37128 0.06979 0.74231 1.00000
Ce3 Ce 0.75803 0.63738 0.51604 1.00000
Ce4 Ce 0.24197 0.36262 0.48396 1.00000
Ce5 Ce 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.89307 0.38152 0.78615 1.00000
Mn2 Mn 0.10693 0.61848 0.21385 1.00000
Mn3 Mn 0.54499 0.37147 0.08967 1.00000
Mn4 Mn 0.45501 0.62853 0.91033 1.00000
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