La3Ce(FeO3)4
Alexandria ALEXAlex-ID: agm011688198 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_7_spg6
LaFeO3 CeO2 FeO
2024-04-23 00:29:28.326869
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011688198).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm011688198
data_agm011688198
_cell_length_a 7.77742
_cell_length_b 5.44694
_cell_length_c 5.62367
_cell_angle_alpha 89.61365
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 238.23108
_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 0.50000 0.98880 0.05389 1.00000
La2 La 0.00000 0.48668 0.44925 1.00000
La3 La 0.00000 0.01404 0.94655 1.00000
Ce1 Ce 0.50000 0.51685 0.56665 1.00000
Fe1 Fe 0.74724 0.00220 0.49980 1.00000
Fe2 Fe 0.25064 0.49864 0.00162 1.00000
Fe3 Fe 0.25276 0.00220 0.49980 1.00000
Fe4 Fe 0.74936 0.49864 0.00162 1.00000
O1 O 0.78984 0.19373 0.20812 1.00000
O2 O 0.21326 0.29272 0.69833 1.00000
O3 O 0.30037 0.79422 0.78115 1.00000
O4 O 0.69380 0.70190 0.30841 1.00000
O5 O 0.69963 0.79422 0.78115 1.00000
O6 O 0.30620 0.70190 0.30841 1.00000
O7 O 0.21016 0.19373 0.20812 1.00000
O8 O 0.78674 0.29272 0.69833 1.00000
O9 O 0.50000 0.42646 0.96955 1.00000
O10 O 0.50000 0.10672 0.48519 1.00000
O11 O 0.00000 0.57635 0.01616 1.00000
O12 O 0.00000 0.91726 0.51787 1.00000
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