AlS15
Alexandria ALEXAlex-ID: agm044686477 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB15_30_spg1
AlS15
2025-01-25 11:55:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044686477).
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 agm044686477
data_agm044686477
_cell_length_a 5.93430
_cell_length_b 9.97394
_cell_length_c 8.88227
_cell_angle_alpha 85.99901
_cell_angle_beta 77.36796
_cell_angle_gamma 85.86301
_cell_volume 510.87677
_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
Al1 Al 0.93774 0.46115 0.94718 1.00000
S1 S 0.78512 0.26494 0.06636 1.00000
S2 S 0.88370 0.50806 0.47257 1.00000
S3 S 0.64281 0.99907 0.55507 1.00000
S4 S 0.32420 0.29098 0.91388 1.00000
S5 S 0.64807 0.60681 0.88442 1.00000
S6 S 0.19951 0.00368 0.37751 1.00000
S7 S 0.32940 0.54113 0.59965 1.00000
S8 S 0.08587 0.64632 0.01268 1.00000
S9 S 0.43830 0.30101 0.12919 1.00000
S10 S 0.60422 0.42240 0.45678 1.00000
S11 S 0.21407 0.11113 0.90226 1.00000
S12 S 0.07171 0.41476 0.65990 1.00000
S13 S 0.39660 0.62526 0.08432 1.00000
S14 S 0.49835 0.90397 0.37851 1.00000
S15 S 0.94034 0.89930 0.55971 1.00000
获取直接链接