Sc2Si2Ag
Alexandria ALEXAlex-ID: agm003407331 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_2031_spg12
ScSi Ag
2022-02-11 23:05:28.813952
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003407331).
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 agm003407331
data_agm003407331
_cell_length_a 4.02238
_cell_length_b 5.31198
_cell_length_c 5.31198
_cell_angle_alpha 63.58846
_cell_angle_beta 67.75215
_cell_angle_gamma 67.75215
_cell_volume 91.01042
_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 0.79525 0.70475 0.70475 1.00000
Sc2 Sc 0.20475 0.29525 0.29525 1.00000
Si1 Si 0.50000 0.71085 0.28915 1.00000
Si2 Si 0.50000 0.28915 0.71085 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
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