Sm3HgOs
Alexandria ALEXAlex-ID: agm005803148 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_3515_spg2
Sm5HgOs2 Sm5Hg2Os SmOs2
2023-07-05 20:04:48.495520
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803148).
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 agm005803148
data_agm005803148
_cell_length_a 6.00233
_cell_length_b 6.00232
_cell_length_c 8.70949
_cell_angle_alpha 102.11551
_cell_angle_beta 102.11480
_cell_angle_gamma 113.01223
_cell_volume 267.11187
_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 0.30066 0.80067 0.10133 1.00000
Sm2 Sm 0.69934 0.19933 0.89867 1.00000
Sm3 Sm 0.08047 0.20047 0.28094 1.00000
Sm4 Sm 0.91953 0.79953 0.71906 1.00000
Sm5 Sm 0.70046 0.58049 0.28095 1.00000
Sm6 Sm 0.29954 0.41951 0.71905 1.00000
Hg1 Hg 0.71247 0.21247 0.50000 1.00000
Hg2 Hg 0.28753 0.78753 0.50000 1.00000
Os1 Os 0.25000 0.25000 1.00000 1.00000
Os2 Os 0.75000 0.75000 0.00000 1.00000
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