SmSc4Cd
Alexandria ALEXAlex-ID: agm003741007 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1166_spg15
Sc SmCd
2022-04-18 23:29:07.280395
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003741007).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003741007
data_agm003741007
_cell_length_a 5.72219
_cell_length_b 5.72219
_cell_length_c 11.07219
_cell_angle_alpha 76.21035
_cell_angle_beta 76.21035
_cell_angle_gamma 59.63373
_cell_volume 300.76890
_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
Sm1 Sm 0.50000 0.00000 0.50000 1.00000
Sm2 Sm 0.00000 0.50000 0.00000 1.00000
Sc1 Sc 0.43581 0.24452 0.75116 1.00000
Sc2 Sc 0.16830 0.66570 0.50880 1.00000
Sc3 Sc 0.83170 0.33430 0.49120 1.00000
Sc4 Sc 0.24452 0.43581 0.25116 1.00000
Sc5 Sc 0.75548 0.56419 0.74884 1.00000
Sc6 Sc 0.33430 0.83170 0.99120 1.00000
Sc7 Sc 0.66570 0.16830 0.00880 1.00000
Sc8 Sc 0.56419 0.75548 0.24884 1.00000
Cd1 Cd 0.92312 0.07688 0.25000 1.00000
Cd2 Cd 0.07688 0.92312 0.75000 1.00000
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