ReSi
Alexandria ALEXAlex-ID: agm005447901 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_1692_spg8
Re2Si Re4Si7
2023-03-21 23:24:47.496556
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005447901).
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 agm005447901
data_agm005447901
_cell_length_a 5.40245
_cell_length_b 5.40245
_cell_length_c 5.83380
_cell_angle_alpha 71.83543
_cell_angle_beta 71.83543
_cell_angle_gamma 32.31134
_cell_volume 86.08449
_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
Re1 Re 0.67671 0.67671 0.68750 1.00000
Re2 Re 0.31280 0.31280 0.29013 1.00000
Re3 Re 0.39707 0.39707 0.72490 1.00000
Si1 Si 0.99673 0.99673 0.98483 1.00000
Si2 Si 0.05471 0.05471 0.43053 1.00000
Si3 Si 0.72864 0.72864 0.04876 1.00000
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