AcY5Mn2
Alexandria ALEXAlex-ID: agm012376772 · 空间群: Fmm2 (#42)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_414_spg107
Ac Y Mn
2024-07-18 20:47:56.243047
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012376772).
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 agm012376772
data_agm012376772
_cell_length_a 6.74440
_cell_length_b 6.74440
_cell_length_c 6.82567
_cell_angle_alpha 63.46315
_cell_angle_beta 63.46315
_cell_angle_gamma 95.48941
_cell_volume 230.97772
_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
Ac1 Ac 0.83298 0.83298 0.44409 1.00000
Y1 Y 0.26875 0.76878 0.94407 1.00000
Y2 Y 0.72091 0.72091 0.05282 1.00000
Y3 Y 0.32966 0.32966 0.83535 1.00000
Y4 Y 0.76878 0.26875 0.94407 1.00000
Y5 Y 0.22866 0.22866 0.44408 1.00000
Mn1 Mn 0.76250 0.30796 0.44404 1.00000
Mn2 Mn 0.30796 0.76250 0.44404 1.00000
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