CeSmO3
Alexandria ALEXAlex-ID: agm002302741 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_58_spg167
Ce2O3 Sm2O3
2019-01-09 05:58:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002302741).
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 agm002302741
data_agm002302741
_cell_length_a 6.26347
_cell_length_b 6.26381
_cell_length_c 6.26381
_cell_angle_alpha 85.64671
_cell_angle_beta 123.61365
_cell_angle_gamma 121.49165
_cell_volume 166.45812
_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
O1 O 1.00000 0.15131 0.65131 1.00000
O2 O 0.50000 0.34869 0.34869 1.00000
O3 O 0.00000 0.84869 0.34869 1.00000
O4 O 0.50000 0.65131 0.65131 1.00000
O5 O 0.83509 0.25014 0.08495 1.00000
O6 O 0.16491 0.74986 0.91505 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.00000 0.50000 0.50000 1.00000
Sm1 Sm 0.45414 0.25008 0.70406 1.00000
Sm2 Sm 0.54586 0.74992 0.29594 1.00000
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