Sr7NF12
Alexandria ALEXAlex-ID: agm005774874 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_36_spg148
Sr2NF SrN2 SrF2
2023-07-16 04:17:55.948382
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774874).
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 agm005774874
data_agm005774874
_cell_length_a 9.21535
_cell_length_b 8.10486
_cell_length_c 8.10486
_cell_angle_alpha 106.53092
_cell_angle_beta 112.27207
_cell_angle_gamma 112.27206
_cell_volume 448.93898
_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 0.14209 0.79140 0.13984 1.00000
Sr2 Sr 0.99775 0.13984 0.34844 1.00000
Sr3 Sr 0.64932 0.65156 0.79140 1.00000
Sr4 Sr 0.50000 0.00000 0.00000 1.00000
Sr5 Sr 0.35068 0.34844 0.20860 1.00000
Sr6 Sr 0.00225 0.86016 0.65156 1.00000
Sr7 Sr 0.85791 0.20860 0.86016 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
F1 F 0.18216 0.50776 0.11646 1.00000
F2 F 0.93430 0.11646 0.60870 1.00000
F3 F 0.66441 0.83508 0.09804 1.00000
F4 F 0.43362 0.09804 0.26296 1.00000
F5 F 0.32561 0.39130 0.50776 1.00000
F6 F 0.17067 0.73704 0.83508 1.00000
F7 F 0.82933 0.26296 0.16492 1.00000
F8 F 0.67439 0.60870 0.49224 1.00000
F9 F 0.56638 0.90196 0.73704 1.00000
F10 F 0.33559 0.16492 0.90196 1.00000
F11 F 0.06570 0.88354 0.39130 1.00000
F12 F 0.81784 0.49224 0.88354 1.00000
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