SrI2
Alexandria ALEXAlex-ID: agm002189472 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_151_spg36
SrI2
2023-03-26 21:50:39.609960
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002189472).
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 agm002189472
data_agm002189472
_cell_length_a 6.30470
_cell_length_b 8.12370
_cell_length_c 12.51636
_cell_angle_alpha 90.00000
_cell_angle_beta 104.61474
_cell_angle_gamma 90.00000
_cell_volume 620.31474
_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 0.88004 0.43873 0.76011 1.00000
I2 I 0.53556 0.62675 0.07252 1.00000
I3 I 0.67247 0.31694 0.34703 1.00000
I4 I 0.71566 0.78830 0.42994 1.00000
I5 I 0.11996 0.93873 0.23989 1.00000
I6 I 0.28434 0.28830 0.57006 1.00000
I7 I 0.46444 0.12675 0.92748 1.00000
I8 I 0.32753 0.81694 0.65297 1.00000
Sr1 Sr 0.79173 0.12588 0.58560 1.00000
Sr2 Sr 0.20827 0.62588 0.41440 1.00000
Sr3 Sr 0.58682 0.99370 0.17380 1.00000
Sr4 Sr 0.41318 0.49370 0.82620 1.00000
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