Sc2Ag3
Alexandria ALEXAlex-ID: agm005506524 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_584_spg43
ScAg ScAg2
2023-03-20 12:49:06.729963
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506524).
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 agm005506524
data_agm005506524
_cell_length_a 8.46060
_cell_length_b 7.71465
_cell_length_c 5.56346
_cell_angle_alpha 77.29010
_cell_angle_beta 62.80913
_cell_angle_gamma 39.90077
_cell_volume 201.69589
_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 0.87872 0.21999 0.51384 1.00000
Sc2 Sc 0.38745 0.51384 0.21999 1.00000
Sc3 Sc 0.03001 0.37128 0.86255 1.00000
Sc4 Sc 0.73616 0.86255 0.37128 1.00000
Ag1 Ag 0.44079 0.77091 0.47727 1.00000
Ag2 Ag 0.31103 0.47727 0.77091 1.00000
Ag3 Ag 0.47909 0.80921 0.93897 1.00000
Ag4 Ag 0.77273 0.93897 0.80921 1.00000
Ag5 Ag 0.98201 0.01799 0.01799 1.00000
Ag6 Ag 0.23201 0.26799 0.26799 1.00000
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