Sr3Ce(FeO3)4
Alexandria ALEXAlex-ID: agm011237125 · 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
AB3C4D12_7_spg6
Sr8Fe8O23 Sr3Fe3O8 CeO2 Fe2O3
2024-05-04 16:48:59.677929
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011237125).
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 agm011237125
data_agm011237125
_cell_length_a 5.54679
_cell_length_b 5.54679
_cell_length_c 7.84247
_cell_angle_alpha 89.73330
_cell_angle_beta 89.73330
_cell_angle_gamma 89.56682
_cell_volume 241.27625
_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
Sr1 Sr 0.25031 0.25031 0.99977 1.00000
Sr2 Sr 0.75014 0.75014 0.50347 1.00000
Sr3 Sr 0.25195 0.25195 0.49636 1.00000
Ce1 Ce 0.72832 0.72832 0.99997 1.00000
Fe1 Fe 0.74891 0.24743 0.25057 1.00000
Fe2 Fe 0.24901 0.75189 0.74925 1.00000
Fe3 Fe 0.75189 0.24901 0.74925 1.00000
Fe4 Fe 0.24743 0.74891 0.25057 1.00000
O1 O 0.54599 0.95888 0.77240 1.00000
O2 O 0.03039 0.46831 0.24483 1.00000
O3 O 0.72109 0.30750 0.00068 1.00000
O4 O 0.22323 0.77777 0.49961 1.00000
O5 O 0.30750 0.72109 0.00068 1.00000
O6 O 0.77777 0.22323 0.49961 1.00000
O7 O 0.46831 0.03039 0.24483 1.00000
O8 O 0.95888 0.54599 0.77240 1.00000
O9 O 0.02747 0.02747 0.77918 1.00000
O10 O 0.53927 0.53927 0.26370 1.00000
O11 O 0.94997 0.94997 0.19667 1.00000
O12 O 0.47216 0.47216 0.72622 1.00000
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