Sc5Si
Alexandria ALEXAlex-ID: agm005459958 · 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
AB5_238_spg8
Sc5Si3 Sc
2023-03-21 23:39:14.271691
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005459958).
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 agm005459958
data_agm005459958
_cell_length_a 5.81404
_cell_length_b 5.81404
_cell_length_c 7.72290
_cell_angle_alpha 67.97800
_cell_angle_beta 67.97800
_cell_angle_gamma 33.82794
_cell_volume 133.70472
_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
Sc1 Sc 0.94697 0.94697 0.02572 1.00000
Sc2 Sc 0.30524 0.30524 0.38911 1.00000
Sc3 Sc 0.66411 0.66411 0.75227 1.00000
Sc4 Sc 0.63700 0.63700 0.18516 1.00000
Sc5 Sc 0.97429 0.97429 0.59239 1.00000
Si1 Si 0.30573 0.30573 0.88869 1.00000
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