KSr8N4
Alexandria ALEXAlex-ID: agm097409334 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1167_spg6
Sr2N K
2025-06-17 14:40:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097409334).
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 agm097409334
data_agm097409334
_cell_length_a 3.98344
_cell_length_b 10.76957
_cell_length_c 10.58467
_cell_angle_alpha 70.04594
_cell_angle_beta 79.26519
_cell_angle_gamma 89.86191
_cell_volume 418.43183
_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
K1 K 0.17983 0.95674 0.02915 1.00000
Sr1 Sr 0.09732 0.21904 0.18993 1.00000
Sr2 Sr 0.99357 0.59758 0.39363 1.00000
Sr3 Sr 0.34718 0.57134 0.68205 1.00000
Sr4 Sr 0.40986 0.29086 0.56444 1.00000
Sr5 Sr 0.51519 0.90500 0.36054 1.00000
Sr6 Sr 0.67766 0.54388 0.02196 1.00000
Sr7 Sr 0.74488 0.29006 0.89218 1.00000
Sr8 Sr 0.86361 0.89397 0.66360 1.00000
N1 N 0.62467 0.10769 0.13666 1.00000
N2 N 0.21626 0.43362 0.94604 1.00000
N3 N 0.88365 0.41439 0.61545 1.00000
N4 N 0.94634 0.77583 0.50436 1.00000
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