Li3(SbO2)2
Alexandria ALEXAlex-ID: agm005657284 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_223_spg15
Li3SbO4 Sb
2023-06-27 09:25:43.859905
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657284).
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 agm005657284
data_agm005657284
_cell_length_a 5.28769
_cell_length_b 7.89603
_cell_length_c 7.89603
_cell_angle_alpha 96.94095
_cell_angle_beta 95.94281
_cell_angle_gamma 95.94281
_cell_volume 323.24206
_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 0.95877 0.14983 0.99962 1.00000
Li2 Li 0.54123 0.00038 0.85017 1.00000
Li3 Li 0.04123 0.85017 0.00038 1.00000
Li4 Li 0.45877 0.99962 0.14983 1.00000
Li5 Li 0.75000 0.44762 0.55238 1.00000
Li6 Li 0.25000 0.55238 0.44762 1.00000
Sb1 Sb 0.62492 0.40845 0.17273 1.00000
Sb2 Sb 0.87508 0.82727 0.59155 1.00000
Sb3 Sb 0.37508 0.59155 0.82727 1.00000
Sb4 Sb 0.12492 0.17273 0.40845 1.00000
O1 O 0.61143 0.18349 0.03971 1.00000
O2 O 0.88857 0.96029 0.81651 1.00000
O3 O 0.38857 0.81651 0.96029 1.00000
O4 O 0.11143 0.03971 0.18349 1.00000
O5 O 0.94264 0.38940 0.33631 1.00000
O6 O 0.55736 0.66369 0.61060 1.00000
O7 O 0.05736 0.61060 0.66369 1.00000
O8 O 0.44264 0.33631 0.38940 1.00000
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