Sr2Zn2F7
Alexandria ALEXAlex-ID: agm003322650 · 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
A2B2C7_124_spg12
SrZn2F6 Zn SrF2
2022-01-22 09:09:52.792250
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003322650).
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 agm003322650
data_agm003322650
_cell_length_a 6.00851
_cell_length_b 5.44456
_cell_length_c 6.01140
_cell_angle_alpha 85.29460
_cell_angle_beta 85.24471
_cell_angle_gamma 94.59359
_cell_volume 194.56853
_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 0.72438 0.49967 0.72457 1.00000
Sr2 Sr 0.27562 0.50033 0.27543 1.00000
Zn1 Zn 0.75867 0.04235 0.24224 1.00000
Zn2 Zn 0.24133 0.95765 0.75776 1.00000
F1 F 0.91818 0.26880 0.43745 1.00000
F2 F 0.43706 0.73112 0.91755 1.00000
F3 F 0.08182 0.73120 0.56255 1.00000
F4 F 0.56294 0.26888 0.08245 1.00000
F5 F 0.00000 0.00000 0.00000 1.00000
F6 F 0.58427 0.75315 0.41563 1.00000
F7 F 0.41573 0.24685 0.58437 1.00000
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