Na7SrLi5
Alexandria ALEXAlex-ID: agm003679954 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C7_45_spg44
Na Sr Li
2022-04-10 07:04:35.620966
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003679954).
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 agm003679954
data_agm003679954
_cell_length_a 6.28199
_cell_length_b 8.68122
_cell_length_c 8.68122
_cell_angle_alpha 81.69415
_cell_angle_beta 68.78831
_cell_angle_gamma 68.78831
_cell_volume 411.40613
_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
Na1 Na 0.65945 0.34055 0.34055 1.00000
Na2 Na 0.35106 0.64894 0.64894 1.00000
Na3 Na 0.99447 0.35452 0.65654 1.00000
Na4 Na 0.99447 0.65654 0.35452 1.00000
Na5 Na 0.28167 0.21833 0.21833 1.00000
Na6 Na 0.50100 0.79161 0.20639 1.00000
Na7 Na 0.50100 0.20639 0.79161 1.00000
Sr1 Sr 0.01409 0.98591 0.98591 1.00000
Li1 Li 0.49715 0.99411 0.51323 1.00000
Li2 Li 0.99551 0.99411 0.51323 1.00000
Li3 Li 0.49715 0.51323 0.99411 1.00000
Li4 Li 0.99551 0.51323 0.99411 1.00000
Li5 Li 0.71746 0.78254 0.78254 1.00000
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