Sr2VFeO5
Alexandria ALEXAlex-ID: agm005151105 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_210_spg36
Sr3(FeO3)2 Sr3V2O8 Fe
2023-01-17 18:51:17.655372
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005151105).
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 agm005151105
data_agm005151105
_cell_length_a 3.29888
_cell_length_b 7.06699
_cell_length_c 10.83146
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.49739
_cell_volume 245.54139
_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 0.85974 0.71948 0.79516 1.00000
Sr2 Sr 0.09702 0.19403 0.67398 1.00000
Sr3 Sr 0.14026 0.28052 0.29516 1.00000
Sr4 Sr 0.90298 0.80597 0.17398 1.00000
V1 V 0.78139 0.56278 0.51940 1.00000
V2 V 0.21861 0.43722 0.01940 1.00000
Fe1 Fe 0.54747 0.09495 0.95002 1.00000
Fe2 Fe 0.45253 0.90505 0.45002 1.00000
O1 O 0.35139 0.70278 0.00065 1.00000
O2 O 0.69883 0.39765 0.90368 1.00000
O3 O 0.49658 0.99316 0.78532 1.00000
O4 O 0.27424 0.54848 0.64185 1.00000
O5 O 0.92386 0.84772 0.55391 1.00000
O6 O 0.64861 0.29722 0.50065 1.00000
O7 O 0.30117 0.60235 0.40368 1.00000
O8 O 0.50342 0.00684 0.28532 1.00000
O9 O 0.72576 0.45152 0.14185 1.00000
O10 O 0.07614 0.15228 0.05391 1.00000
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