La4FeO7
Alexandria ALEXAlex-ID: agm002177435 · 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
AB4C7_20_spg12
La3FeO6 La2O3 Fe
2018-08-26 17:58:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002177435).
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 agm002177435
data_agm002177435
_cell_length_a 4.02148
_cell_length_b 7.02259
_cell_length_c 7.14223
_cell_angle_alpha 83.04155
_cell_angle_beta 73.64993
_cell_angle_gamma 73.36275
_cell_volume 185.26488
_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
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
O1 O 0.20489 0.14703 0.44320 1.00000
O2 O 0.79511 0.85297 0.55680 1.00000
O3 O 0.91366 0.27508 0.89755 1.00000
O4 O 0.08634 0.72492 0.10245 1.00000
O5 O 0.63091 0.43426 0.30391 1.00000
O6 O 0.50000 0.00000 0.00000 1.00000
O7 O 0.36909 0.56574 0.69609 1.00000
La1 La 0.41646 0.78085 0.38620 1.00000
La2 La 0.58354 0.21915 0.61380 1.00000
La3 La 0.25379 0.33822 0.15419 1.00000
La4 La 0.74621 0.66178 0.84581 1.00000
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