Ce4MnAu
Alexandria ALEXAlex-ID: agm005808191 · 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
ABC4_1160_spg15
Ce Mn CeAu
2023-07-30 10:45:45.946795
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808191).
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 agm005808191
data_agm005808191
_cell_length_a 5.79220
_cell_length_b 8.49360
_cell_length_c 7.29890
_cell_angle_alpha 54.41987
_cell_angle_beta 80.64208
_cell_angle_gamma 73.77201
_cell_volume 280.40577
_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 0.87111 0.38372 0.80131 1.00000
Ce2 Ce 0.06402 0.05788 0.65120 1.00000
Ce3 Ce 0.62889 0.81497 0.80131 1.00000
Ce4 Ce 0.43598 0.29091 0.65120 1.00000
Ce5 Ce 0.56402 0.70909 0.34880 1.00000
Ce6 Ce 0.37111 0.18503 0.19869 1.00000
Ce7 Ce 0.93598 0.94212 0.34880 1.00000
Ce8 Ce 0.12889 0.61628 0.19869 1.00000
Mn1 Mn 0.25000 0.99453 0.01095 1.00000
Mn2 Mn 0.75000 0.00547 0.98905 1.00000
Au1 Au 0.75000 0.38585 0.22830 1.00000
Au2 Au 0.25000 0.61415 0.77170 1.00000
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