SrIn8Ni
Alexandria ALEXAlex-ID: agm071533045 · 空间群: P4_332 (#212)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC8_326_spg212
SrIn4Ni In
2024-09-10 09:17:00.037560
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071533045).
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 agm071533045
data_agm071533045
_cell_length_a 10.11132
_cell_length_b 10.11132
_cell_length_c 10.11132
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1033.76985
_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 0.62500 0.62500 0.62500 1.00000
Sr2 Sr 0.87500 0.37500 0.12500 1.00000
Sr3 Sr 0.37500 0.12500 0.87500 1.00000
Sr4 Sr 0.12500 0.87500 0.37500 1.00000
In1 In 0.90887 0.72018 0.13499 1.00000
In2 In 0.59113 0.27982 0.63499 1.00000
In3 In 0.09113 0.22018 0.36501 1.00000
In4 In 0.40887 0.77982 0.86501 1.00000
In5 In 0.13499 0.90887 0.72018 1.00000
In6 In 0.63499 0.59113 0.27982 1.00000
In7 In 0.36501 0.09113 0.22018 1.00000
In8 In 0.86501 0.40887 0.77982 1.00000
In9 In 0.72018 0.13499 0.90887 1.00000
In10 In 0.27982 0.63499 0.59113 1.00000
In11 In 0.22018 0.36501 0.09113 1.00000
In12 In 0.77982 0.86501 0.40887 1.00000
In13 In 0.97018 0.65887 0.61501 1.00000
In14 In 0.52982 0.34113 0.11501 1.00000
In15 In 0.47018 0.84113 0.38499 1.00000
In16 In 0.02982 0.15887 0.88499 1.00000
In17 In 0.15887 0.88499 0.02982 1.00000
In18 In 0.84113 0.38499 0.47018 1.00000
In19 In 0.34113 0.11501 0.52982 1.00000
In20 In 0.65887 0.61501 0.97018 1.00000
In21 In 0.38499 0.47018 0.84113 1.00000
In22 In 0.88499 0.02982 0.15887 1.00000
In23 In 0.61501 0.97018 0.65887 1.00000
In24 In 0.11501 0.52982 0.34113 1.00000
In25 In 0.40659 0.40659 0.40659 1.00000
In26 In 0.09341 0.59341 0.90659 1.00000
In27 In 0.59341 0.90659 0.09341 1.00000
In28 In 0.90659 0.09341 0.59341 1.00000
In29 In 0.65659 0.15659 0.34341 1.00000
In30 In 0.84341 0.84341 0.84341 1.00000
In31 In 0.15659 0.34341 0.65659 1.00000
In32 In 0.34341 0.65659 0.15659 1.00000
Ni1 Ni 0.12500 0.12500 0.12500 1.00000
Ni2 Ni 0.37500 0.87500 0.62500 1.00000
Ni3 Ni 0.87500 0.62500 0.37500 1.00000
Ni4 Ni 0.62500 0.37500 0.87500 1.00000
