Ce4Sb5O
Alexandria ALEXAlex-ID: agm003655596 · 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
AB4C5_201_spg12
Ce3Sb4 CeSb2 Ce2SbO2
2022-04-07 19:05:29.266389
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003655596).
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 agm003655596
data_agm003655596
_cell_length_a 4.27614
_cell_length_b 7.93794
_cell_length_c 8.89344
_cell_angle_alpha 72.79268
_cell_angle_beta 103.91071
_cell_angle_gamma 90.00000
_cell_volume 279.08248
_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
Ce1 Ce 0.36782 0.93564 0.73564 1.00000
Ce2 Ce 0.03846 0.77553 0.07693 1.00000
Ce3 Ce 0.63218 0.06436 0.26436 1.00000
Ce4 Ce 0.96154 0.22447 0.92307 1.00000
Sb1 Sb 0.85797 0.63595 0.71594 1.00000
Sb2 Sb 0.78474 0.22164 0.56948 1.00000
Sb3 Sb 0.21526 0.77836 0.43052 1.00000
Sb4 Sb 0.50000 0.50000 0.00000 1.00000
Sb5 Sb 0.14203 0.36405 0.28406 1.00000
O1 O 0.50000 0.00000 0.00000 1.00000
获取直接链接