Sr2TiFeO5
Alexandria ALEXAlex-ID: agm005149796 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_210_spg36
Sr2TiO4 FeO
2023-01-25 23:07:14.070106
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149796).
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 agm005149796
data_agm005149796
_cell_length_a 3.26047
_cell_length_b 7.11813
_cell_length_c 10.96016
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.23972
_cell_volume 247.60743
_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 0.86217 0.72433 0.79646 1.00000
Sr2 Sr 0.09230 0.18461 0.66628 1.00000
Sr3 Sr 0.13783 0.27567 0.29646 1.00000
Sr4 Sr 0.90770 0.81539 0.16628 1.00000
Ti1 Ti 0.77967 0.55934 0.51922 1.00000
Ti2 Ti 0.22033 0.44066 0.01922 1.00000
Fe1 Fe 0.54792 0.09584 0.94957 1.00000
Fe2 Fe 0.45208 0.90416 0.44957 1.00000
O1 O 0.35450 0.70900 0.99733 1.00000
O2 O 0.70107 0.40214 0.90882 1.00000
O3 O 0.49870 0.99740 0.78582 1.00000
O4 O 0.27107 0.54214 0.64470 1.00000
O5 O 0.92536 0.85072 0.55578 1.00000
O6 O 0.64550 0.29100 0.49733 1.00000
O7 O 0.29893 0.59786 0.40882 1.00000
O8 O 0.50130 0.00260 0.28582 1.00000
O9 O 0.72893 0.45786 0.14470 1.00000
O10 O 0.07464 0.14928 0.05578 1.00000
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