CoSiH6
Alexandria ALEXAlex-ID: agm076180193 · 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
ABC6_235_spg2
Co2Si SiH20 CoSi
2025-06-26 23:03:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076180193).
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 agm076180193
data_agm076180193
_cell_length_a 4.40200
_cell_length_b 4.40207
_cell_length_c 5.94330
_cell_angle_alpha 63.67793
_cell_angle_beta 63.67840
_cell_angle_gamma 49.61485
_cell_volume 76.54586
_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
Co1 Co 0.83891 0.96391 0.22980 1.00000
Si1 Si 0.42831 0.55334 0.35108 1.00000
H1 H 0.71673 0.84174 0.51119 1.00000
H2 H 0.66100 0.78600 0.17171 1.00000
H3 H 0.39841 0.52339 0.61979 1.00000
H4 H 0.08737 0.98159 0.92768 1.00000
H5 H 0.85660 0.21237 0.92767 1.00000
H6 H 0.01266 0.13766 0.26107 1.00000
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