Sr15Y4
Alexandria ALEXAlex-ID: agm073023764 · 空间群: I-43d (#220)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B15_2_spg220
Y Sr
2024-10-20 08:12:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073023764).
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 agm073023764
data_agm073023764
_cell_length_a 13.41219
_cell_length_b 13.41219
_cell_length_c 13.41219
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 1857.28102
_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 0.69889 0.04540 0.92412 1.00000
Sr2 Sr 0.75000 0.87500 0.12500 1.00000
Sr3 Sr 0.15349 0.87872 0.45460 1.00000
Sr4 Sr 0.72523 0.34651 0.80111 1.00000
Sr5 Sr 0.57588 0.62128 0.77477 1.00000
Sr6 Sr 0.22523 0.30111 0.84651 1.00000
Sr7 Sr 0.80111 0.72523 0.34651 1.00000
Sr8 Sr 0.37872 0.65349 0.95460 1.00000
Sr9 Sr 0.07588 0.27477 0.12128 1.00000
Sr10 Sr 0.92412 0.69889 0.04540 1.00000
Sr11 Sr 0.45460 0.15349 0.87872 1.00000
Sr12 Sr 0.30111 0.84651 0.22523 1.00000
Sr13 Sr 0.12500 0.75000 0.87500 1.00000
Sr14 Sr 0.34651 0.80111 0.72523 1.00000
Sr15 Sr 0.37500 0.25000 0.62500 1.00000
Sr16 Sr 0.12128 0.07588 0.27477 1.00000
Sr17 Sr 0.95460 0.37872 0.65349 1.00000
Sr18 Sr 0.42412 0.54540 0.19889 1.00000
Sr19 Sr 0.65349 0.95460 0.37872 1.00000
Sr20 Sr 0.62500 0.37500 0.25000 1.00000
Sr21 Sr 0.04540 0.92412 0.69889 1.00000
Sr22 Sr 0.87872 0.45460 0.15349 1.00000
Sr23 Sr 0.84651 0.22523 0.30111 1.00000
Sr24 Sr 0.77477 0.57588 0.62128 1.00000
Sr25 Sr 0.54540 0.19889 0.42412 1.00000
Sr26 Sr 0.62128 0.77477 0.57588 1.00000
Sr27 Sr 0.19889 0.42412 0.54540 1.00000
Sr28 Sr 0.25000 0.62500 0.37500 1.00000
Sr29 Sr 0.27477 0.12128 0.07588 1.00000
Sr30 Sr 0.87500 0.12500 0.75000 1.00000
Y1 Y 0.50000 0.00000 0.58948 1.00000
Y2 Y 0.00000 0.58948 0.50000 1.00000
Y3 Y 0.50000 0.00000 0.08948 1.00000
Y4 Y 0.41052 0.41052 0.41052 1.00000
Y5 Y 0.91052 0.91052 0.91052 1.00000
Y6 Y 0.00000 0.08948 0.50000 1.00000
Y7 Y 0.08948 0.50000 0.00000 1.00000
Y8 Y 0.58948 0.50000 0.00000 1.00000
