Sr6Th2Fe4O15
Alexandria ALEXAlex-ID: agm010147744 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C6D15_0_spg38
Sr3(FeO3)2 Sr2FeO3 ThO2 Fe
2024-07-13 00:41:38.839015
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010147744).
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 agm010147744
data_agm010147744
_cell_length_a 5.97322
_cell_length_b 5.93300
_cell_length_c 14.89145
_cell_angle_alpha 89.99804
_cell_angle_beta 90.01361
_cell_angle_gamma 122.53491
_cell_volume 444.91882
_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 0.66005 0.28837 0.18261 1.00000
Sr2 Sr 0.66128 0.28860 0.81735 1.00000
Sr3 Sr 0.97654 0.93551 0.00012 1.00000
Sr4 Sr 0.32217 0.68518 0.62850 1.00000
Sr5 Sr 0.32185 0.68534 0.37167 1.00000
Sr6 Sr 0.93803 0.01365 0.50009 1.00000
Th1 Th 0.98872 0.97936 0.25203 1.00000
Th2 Th 0.98974 0.97949 0.74803 1.00000
Fe1 Fe 0.32970 0.63063 0.11187 1.00000
Fe2 Fe 0.33072 0.63071 0.88801 1.00000
Fe3 Fe 0.60788 0.34318 0.59377 1.00000
Fe4 Fe 0.60727 0.34303 0.40626 1.00000
O1 O 0.24764 0.82064 0.19524 1.00000
O2 O 0.67447 0.69008 0.12859 1.00000
O3 O 0.05945 0.26419 0.12186 1.00000
O4 O 0.24910 0.82049 0.80436 1.00000
O5 O 0.67557 0.69011 0.87147 1.00000
O6 O 0.06065 0.26415 0.87818 1.00000
O7 O 0.37831 0.32661 0.29649 1.00000
O8 O 0.92458 0.72351 0.37541 1.00000
O9 O 0.77963 0.14214 0.32245 1.00000
O10 O 0.37929 0.32673 0.70360 1.00000
O11 O 0.92502 0.72356 0.62464 1.00000
O12 O 0.78118 0.14272 0.67743 1.00000
O13 O 0.32219 0.79503 0.99987 1.00000
O14 O 0.53050 0.06104 0.50004 1.00000
O15 O 0.38047 0.45694 0.50004 1.00000
