Li2SbO3
Alexandria ALEXAlex-ID: agm005690343 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_185_spg12
LiSbO2 Li3SbO4
2023-08-22 07:46:21.832365
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690343).
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 agm005690343
data_agm005690343
_cell_length_a 3.20969
_cell_length_b 6.26453
_cell_length_c 7.47263
_cell_angle_alpha 111.01802
_cell_angle_beta 89.99997
_cell_angle_gamma 104.84350
_cell_volume 134.87154
_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
Li1 Li 0.18328 0.36657 0.36615 1.00000
Li2 Li 0.81672 0.63343 0.63385 1.00000
Li3 Li 0.27721 0.55443 0.14268 1.00000
Li4 Li 0.72279 0.44557 0.85732 1.00000
Sb1 Sb 0.50000 0.00000 0.00000 1.00000
Sb2 Sb 0.00000 0.00000 0.50000 1.00000
O1 O 0.00804 0.01607 0.18572 1.00000
O2 O 0.99196 0.98393 0.81428 1.00000
O3 O 0.67305 0.34609 0.09129 1.00000
O4 O 0.32695 0.65391 0.90871 1.00000
O5 O 0.35541 0.71082 0.44679 1.00000
O6 O 0.64459 0.28918 0.55321 1.00000
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