Sr3Li7As4
Alexandria ALEXAlex-ID: agm005702697 · 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
A3B4C7_8_spg12
Sr(Li2As)2 SrLiAs Li
2023-06-29 16:28:07.645131
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702697).
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 agm005702697
data_agm005702697
_cell_length_a 4.47115
_cell_length_b 8.66760
_cell_length_c 8.71364
_cell_angle_alpha 71.30992
_cell_angle_beta 75.13392
_cell_angle_gamma 75.05311
_cell_volume 303.42769
_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 0.29858 0.17927 0.22357 1.00000
Sr2 Sr 0.70142 0.82073 0.77643 1.00000
Sr3 Sr 0.00000 0.50000 0.50000 1.00000
Li1 Li 0.32332 0.83919 0.51417 1.00000
Li2 Li 0.49565 0.23113 0.77758 1.00000
Li3 Li 0.82520 0.42769 0.92191 1.00000
Li4 Li 0.67668 0.16081 0.48583 1.00000
Li5 Li 0.17480 0.57231 0.07809 1.00000
Li6 Li 0.00000 0.00000 0.00000 1.00000
Li7 Li 0.50435 0.76887 0.22242 1.00000
As1 As 0.65866 0.45137 0.23130 1.00000
As2 As 0.34134 0.54863 0.76870 1.00000
As3 As 0.88750 0.89687 0.32812 1.00000
As4 As 0.11250 0.10313 0.67188 1.00000
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