SrI3
Alexandria ALEXAlex-ID: agm002320985 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_269_spg2
SrI2 I
2019-01-01 15:53:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002320985).
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 agm002320985
data_agm002320985
_cell_length_a 9.18015
_cell_length_b 8.24977
_cell_length_c 6.17907
_cell_angle_alpha 92.42083
_cell_angle_beta 108.71823
_cell_angle_gamma 119.11607
_cell_volume 375.91372
_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
I1 I 0.91610 0.54376 0.28608 1.00000
I2 I 0.61905 0.92766 0.30377 1.00000
I3 I 0.78295 0.69796 0.82770 1.00000
I4 I 0.21705 0.30204 0.17230 1.00000
I5 I 0.38095 0.07234 0.69623 1.00000
I6 I 0.08390 0.45624 0.71392 1.00000
Sr1 Sr 0.77290 0.09568 0.89095 1.00000
Sr2 Sr 0.22710 0.90432 0.10905 1.00000
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