La2CeO6
Alexandria ALEXAlex-ID: agm097408752 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1691_spg12
CeO2 LaO2
2025-04-07 05:12:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097408752).
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 agm097408752
data_agm097408752
_cell_length_a 3.94174
_cell_length_b 4.02501
_cell_length_c 9.30022
_cell_angle_alpha 101.85832
_cell_angle_beta 102.14755
_cell_angle_gamma 90.00214
_cell_volume 141.02595
_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
La1 La 0.20743 0.11533 0.05506 1.00000
La2 La 0.91362 0.84339 0.46376 1.00000
Ce1 Ce 0.56113 0.48177 0.76038 1.00000
O1 O 0.13916 0.55639 0.91782 1.00000
O2 O 0.47668 0.90205 0.59034 1.00000
O3 O 0.62800 0.05259 0.89516 1.00000
O4 O 0.77769 0.88018 0.19692 1.00000
O5 O 0.98807 0.41151 0.61293 1.00000
O6 O 0.80822 0.25679 0.25763 1.00000
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