Sr4H8Cl
Alexandria ALEXAlex-ID: agm097444879 · 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_873_spg1
Sr7(H6Cl)2 SrH10 SrH2
2025-06-21 19:45:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097444879).
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
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# CIF generated by HEAS from Alexandria entry agm097444879
data_agm097444879
_cell_length_a 4.06814
_cell_length_b 8.08416
_cell_length_c 7.34418
_cell_angle_alpha 111.41023
_cell_angle_beta 89.20614
_cell_angle_gamma 104.25388
_cell_volume 217.16584
_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 0.16169 0.08682 0.94282 1.00000
Sr2 Sr 0.88747 0.51183 0.96397 1.00000
Sr3 Sr 0.39558 0.54481 0.44787 1.00000
Sr4 Sr 0.68431 0.12668 0.49087 1.00000
H1 H 0.71056 0.18352 0.85903 1.00000
H2 H 0.24752 0.26831 0.70278 1.00000
H3 H 0.66737 0.88668 0.63433 1.00000
H4 H 0.21655 0.18929 0.31099 1.00000
H5 H 0.86475 0.86895 0.59896 1.00000
H6 H 0.85136 0.46931 0.60780 1.00000
H7 H 0.33630 0.41889 0.08859 1.00000
H8 H 0.93007 0.61458 0.31109 1.00000
Cl1 Cl 0.54648 0.83031 0.04091 1.00000
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