Sm3Zn2Os
Alexandria ALEXAlex-ID: agm038499298 · 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
AB2C3_2535_spg2
Sm6Zn5Os Sm5Os2 SmOs2
2025-04-14 15:13:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm038499298).
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}
}
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# CIF generated by HEAS from Alexandria entry agm038499298
data_agm038499298
_cell_length_a 5.05747
_cell_length_b 8.09898
_cell_length_c 7.96928
_cell_angle_alpha 66.74893
_cell_angle_beta 71.40814
_cell_angle_gamma 71.70433
_cell_volume 277.55488
_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 0.09395 0.23403 0.57825 1.00000
Sm2 Sm 0.24783 0.76765 0.73529 1.00000
Sm3 Sm 0.90605 0.76597 0.42175 1.00000
Sm4 Sm 0.58062 0.75983 0.07912 1.00000
Sm5 Sm 0.41938 0.24017 0.92088 1.00000
Sm6 Sm 0.75217 0.23235 0.26471 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Zn2 Zn 0.50000 0.50000 0.50000 1.00000
Zn3 Zn 0.83613 0.48954 0.83796 1.00000
Zn4 Zn 0.16387 0.51046 0.16204 1.00000
Os1 Os 0.33858 0.99961 0.32331 1.00000
Os2 Os 0.66142 0.00039 0.67669 1.00000
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