Sr8InCl4
Alexandria ALEXAlex-ID: agm097701892 · 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
AB4C8_808_spg1
Sr28In11 Sr SrCl2
2025-06-12 17:05:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097701892).
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 agm097701892
data_agm097701892
_cell_length_a 4.34140
_cell_length_b 11.24419
_cell_length_c 11.95456
_cell_angle_alpha 65.77101
_cell_angle_beta 89.50166
_cell_angle_gamma 89.85873
_cell_volume 532.14196
_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 0.76553 0.43142 0.93589 1.00000
Sr2 Sr 0.77427 0.70661 0.23700 1.00000
Sr3 Sr 0.27275 0.64228 0.59777 1.00000
Sr4 Sr 0.77204 0.99940 0.56493 1.00000
Sr5 Sr 0.26306 0.06252 0.12547 1.00000
Sr6 Sr 0.26867 0.35662 0.37324 1.00000
Sr7 Sr 0.26978 0.20171 0.76162 1.00000
Sr8 Sr 0.26857 0.78289 0.88490 1.00000
In1 In 0.76602 0.97331 0.96016 1.00000
Cl1 Cl 0.77610 0.80509 0.43490 1.00000
Cl2 Cl 0.25429 0.49948 0.09298 1.00000
Cl3 Cl 0.77217 0.43391 0.67945 1.00000
Cl4 Cl 0.27676 0.10475 0.35170 1.00000
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