SmHo7Mg4
Alexandria ALEXAlex-ID: agm003668836 · 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
AB4C7_87_spg12
SmHo5 Ho2Mg SmMg
2022-04-20 11:04:24.497644
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668836).
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 agm003668836
data_agm003668836
_cell_length_a 5.68146
_cell_length_b 9.80185
_cell_length_c 7.37771
_cell_angle_alpha 80.53255
_cell_angle_beta 67.35361
_cell_angle_gamma 73.15306
_cell_volume 362.25369
_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
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.77961 0.88065 0.56013 1.00000
Ho2 Ho 0.22039 0.11935 0.43987 1.00000
Ho3 Ho 0.05637 0.61772 0.26955 1.00000
Ho4 Ho 0.94363 0.38228 0.73045 1.00000
Ho5 Ho 0.32556 0.61368 0.73521 1.00000
Ho6 Ho 0.50000 0.00000 0.00000 1.00000
Ho7 Ho 0.67444 0.38632 0.26479 1.00000
Mg1 Mg 0.56460 0.21697 0.65382 1.00000
Mg2 Mg 0.43540 0.78303 0.34618 1.00000
Mg3 Mg 0.68702 0.66443 0.96154 1.00000
Mg4 Mg 0.31298 0.33557 0.03846 1.00000
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