SrZn2
Alexandria ALEXAlex-ID: agm003201054 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_49_spg141
SrZn2
2021-12-03 05:56:46.934899
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003201054).
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 agm003201054
data_agm003201054
_cell_length_a 8.49310
_cell_length_b 8.49310
_cell_length_c 8.49310
_cell_angle_alpha 149.69772
_cell_angle_beta 149.69772
_cell_angle_gamma 43.38524
_cell_volume 155.54552
_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 0.00000 0.00000 0.00000 1.00000
Sr2 Sr 0.25000 0.75000 0.50000 1.00000
Zn1 Zn 0.58317 0.58317 0.00000 1.00000
Zn2 Zn 0.66683 0.16683 0.50000 1.00000
Zn3 Zn 0.41683 0.41683 1.00000 1.00000
Zn4 Zn 0.83317 0.33317 0.50000 1.00000
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