Sr2Li(H4O3)2
Alexandria ALEXAlex-ID: agm005288561 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6D8_28_spg6
Sr(HO)2 LiH3O2 LiHO H4O
2023-05-07 12:12:08.222654
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005288561).
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 agm005288561
data_agm005288561
_cell_length_a 3.52006
_cell_length_b 7.48957
_cell_length_c 7.51245
_cell_angle_alpha 89.22699
_cell_angle_beta 89.99900
_cell_angle_gamma 89.99897
_cell_volume 198.03843
_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 0.00001 0.40082 0.76081 1.00000
Sr2 Sr 0.99999 0.54940 0.26376 1.00000
Li1 Li 0.00000 0.94572 0.15209 1.00000
H1 H 0.78338 0.00186 0.83588 1.00000
H2 H 0.21670 0.00185 0.83589 1.00000
H3 H 0.22989 0.15163 0.36621 1.00000
H4 H 0.77008 0.15164 0.36621 1.00000
H5 H 0.50004 0.11731 0.62094 1.00000
H6 H 0.50000 0.77402 0.05802 1.00000
H7 H 0.49992 0.67445 0.55688 1.00000
H8 H 0.50001 0.31338 0.05139 1.00000
O1 O 0.00003 0.93206 0.89089 1.00000
O2 O 0.99999 0.18229 0.28751 1.00000
O3 O 0.50003 0.16014 0.74543 1.00000
O4 O 0.50000 0.79239 0.18687 1.00000
O5 O 0.49995 0.54485 0.53775 1.00000
O6 O 0.50000 0.44164 0.02267 1.00000
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