Sr2Zn
Alexandria ALEXAlex-ID: agm003201467 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_67_spg12
Sr2Zn
2021-12-03 06:08:53.364431
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003201467).
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 agm003201467
data_agm003201467
_cell_length_a 7.58447
_cell_length_b 7.58447
_cell_length_c 9.53510
_cell_angle_alpha 54.71741
_cell_angle_beta 54.71741
_cell_angle_gamma 32.97006
_cell_volume 238.26270
_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 0.05790 0.05790 0.92398 1.00000
Sr2 Sr 0.29753 0.29753 0.38790 1.00000
Sr3 Sr 0.64691 0.64691 0.22321 1.00000
Sr4 Sr 0.88654 0.88654 0.68713 1.00000
Zn1 Zn 0.58020 0.58020 0.63998 1.00000
Zn2 Zn 0.36424 0.36424 0.97113 1.00000
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