V4CrFe3O16
Alexandria ALEXAlex-ID: agm005287642 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D16_28_spg5
Fe2O3 V4Fe2O13 Cr2O3
2023-05-09 22:23:53.545163
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287642).
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 agm005287642
data_agm005287642
_cell_length_a 6.77442
_cell_length_b 6.77442
_cell_length_c 6.95055
_cell_angle_alpha 77.17120
_cell_angle_beta 77.17120
_cell_angle_gamma 84.08729
_cell_volume 302.77001
_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
V1 V 0.25116 0.74884 0.00000 1.00000
V2 V 0.75150 0.24850 0.00000 1.00000
V3 V 0.72495 0.72889 0.40276 1.00000
V4 V 0.27111 0.27505 0.59724 1.00000
Cr1 Cr 0.17914 0.82086 0.50000 1.00000
Fe1 Fe 0.81393 0.18607 0.50000 1.00000
Fe2 Fe 0.20764 0.20494 0.13493 1.00000
Fe3 Fe 0.79506 0.79236 0.86507 1.00000
O1 O 0.89305 0.19913 0.19990 1.00000
O2 O 0.20244 0.89147 0.19949 1.00000
O3 O 0.10853 0.79756 0.80051 1.00000
O4 O 0.80087 0.10695 0.80010 1.00000
O5 O 0.21208 0.50243 0.11031 1.00000
O6 O 0.50467 0.20954 0.10964 1.00000
O7 O 0.79046 0.49533 0.89036 1.00000
O8 O 0.49757 0.78792 0.88969 1.00000
O9 O 0.79668 0.79759 0.14368 1.00000
O10 O 0.20241 0.20332 0.85632 1.00000
O11 O 0.14089 0.13768 0.45971 1.00000
O12 O 0.86232 0.85911 0.54029 1.00000
O13 O 0.79246 0.47863 0.47345 1.00000
O14 O 0.47485 0.79513 0.47346 1.00000
O15 O 0.20487 0.52515 0.52654 1.00000
O16 O 0.52137 0.20754 0.52655 1.00000
