SrCu
Alexandria ALEXAlex-ID: agm004445461 · 空间群: Pbca (#61)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_2718_spg19
SrCu
2022-05-30 03:08:25.481938
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004445461).
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 agm004445461
data_agm004445461
_cell_length_a 6.04276
_cell_length_b 7.77426
_cell_length_c 10.40960
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 489.02206
_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
Sr1 Sr 0.37071 0.18654 0.12691 1.00000
Sr2 Sr 0.87071 0.31346 0.87309 1.00000
Sr3 Sr 0.62929 0.68654 0.37309 1.00000
Sr4 Sr 0.12929 0.81346 0.62691 1.00000
Sr5 Sr 0.62929 0.81346 0.87309 1.00000
Sr6 Sr 0.12929 0.68654 0.12691 1.00000
Sr7 Sr 0.37071 0.31346 0.62691 1.00000
Sr8 Sr 0.87071 0.18654 0.37309 1.00000
Cu1 Cu 0.87299 0.03123 0.08864 1.00000
Cu2 Cu 0.37299 0.46877 0.91136 1.00000
Cu3 Cu 0.12701 0.53123 0.41136 1.00000
Cu4 Cu 0.62701 0.96877 0.58864 1.00000
Cu5 Cu 0.12701 0.96877 0.91136 1.00000
Cu6 Cu 0.62701 0.53123 0.08864 1.00000
Cu7 Cu 0.87299 0.46877 0.58864 1.00000
Cu8 Cu 0.37299 0.03123 0.41136 1.00000
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