LiB2SbO6
Alexandria ALEXAlex-ID: agm003246768 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_54_spg14
LiSb3O8 Li3B11O18 Li3B7O12
2022-01-02 03:58:30.387483
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003246768).
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 agm003246768
data_agm003246768
_cell_length_a 9.13947
_cell_length_b 5.11939
_cell_length_c 11.16949
_cell_angle_alpha 73.95306
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 502.24075
_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 0.95587 0.94766 0.88567 1.00000
Li2 Li 0.45587 0.05234 0.61433 1.00000
Li3 Li 0.54413 0.94766 0.38567 1.00000
Li4 Li 0.04413 0.05234 0.11433 1.00000
B1 B 0.30384 0.45752 0.39359 1.00000
B2 B 0.62450 0.99201 0.86120 1.00000
B3 B 0.80384 0.54248 0.10641 1.00000
B4 B 0.12450 0.00799 0.63880 1.00000
B5 B 0.87550 0.99201 0.36120 1.00000
B6 B 0.19616 0.45752 0.89359 1.00000
B7 B 0.37550 0.00799 0.13880 1.00000
B8 B 0.69616 0.54248 0.60641 1.00000
Sb1 Sb 0.29577 0.02161 0.87183 1.00000
Sb2 Sb 0.79577 0.97839 0.62817 1.00000
Sb3 Sb 0.20423 0.02161 0.37183 1.00000
Sb4 Sb 0.70423 0.97839 0.12817 1.00000
O1 O 0.36507 0.88594 0.04420 1.00000
O2 O 0.65298 0.29415 0.59456 1.00000
O3 O 0.88782 0.78216 0.07559 1.00000
O4 O 0.99197 0.04818 0.69105 1.00000
O5 O 0.16566 0.41674 0.35093 1.00000
O6 O 0.25200 0.07945 0.68960 1.00000
O7 O 0.66566 0.58326 0.14907 1.00000
O8 O 0.75200 0.92055 0.81040 1.00000
O9 O 0.49197 0.95182 0.80895 1.00000
O10 O 0.38782 0.21784 0.42441 1.00000
O11 O 0.86507 0.11406 0.45580 1.00000
O12 O 0.15298 0.70585 0.90544 1.00000
O13 O 0.84702 0.29415 0.09456 1.00000
O14 O 0.13493 0.88594 0.54420 1.00000
O15 O 0.61218 0.78216 0.57559 1.00000
O16 O 0.50803 0.04818 0.19105 1.00000
O17 O 0.24800 0.07945 0.18960 1.00000
O18 O 0.33434 0.41674 0.85093 1.00000
O19 O 0.74800 0.92055 0.31040 1.00000
O20 O 0.83434 0.58326 0.64907 1.00000
O21 O 0.00803 0.95182 0.30895 1.00000
O22 O 0.11218 0.21784 0.92441 1.00000
O23 O 0.34702 0.70585 0.40544 1.00000
O24 O 0.63493 0.11406 0.95580 1.00000
