KSrVFeO6F
Alexandria ALEXAlex-ID: agm010419475 · Space group: P4_122 (#91)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCDEF6_1_spg91
KVO3 K5V3O10 KO12 SrF2 Fe2O3 Sr5V3O12F
2024-07-12 18:36:04.913848
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010419475).
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 agm010419475
data_agm010419475
_cell_length_a 7.53523
_cell_length_b 7.53523
_cell_length_c 10.60994
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 602.42966
_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
K1 K 0.50000 0.70104 0.00000 1.00000
K2 K 0.50000 0.29896 0.50000 1.00000
K3 K 0.70104 0.50000 0.75000 1.00000
K4 K 0.29896 0.50000 0.25000 1.00000
Sr1 Sr 0.00000 0.74660 0.00000 1.00000
Sr2 Sr 0.25340 0.00000 0.25000 1.00000
Sr3 Sr 0.00000 0.25340 0.50000 1.00000
Sr4 Sr 0.74660 0.00000 0.75000 1.00000
V1 V 0.50000 0.81834 0.50000 1.00000
V2 V 0.50000 0.18166 0.00000 1.00000
V3 V 0.81834 0.50000 0.25000 1.00000
V4 V 0.18166 0.50000 0.75000 1.00000
Fe1 Fe 0.00000 0.76619 0.50000 1.00000
Fe2 Fe 0.23381 0.00000 0.75000 1.00000
Fe3 Fe 0.76619 0.00000 0.25000 1.00000
Fe4 Fe 0.00000 0.23381 0.00000 1.00000
O1 O 0.55469 0.96530 0.37783 1.00000
O2 O 0.95226 0.95226 0.37500 1.00000
O3 O 0.03470 0.44531 0.87217 1.00000
O4 O 0.04774 0.04774 0.87500 1.00000
O5 O 0.04774 0.95226 0.62500 1.00000
O6 O 0.27330 0.24485 0.05361 1.00000
O7 O 0.27330 0.75515 0.44639 1.00000
O8 O 0.24485 0.27330 0.69639 1.00000
O9 O 0.44531 0.96530 0.62217 1.00000
O10 O 0.39254 0.39254 0.87500 1.00000
O11 O 0.44531 0.03470 0.87783 1.00000
O12 O 0.60746 0.60746 0.37500 1.00000
O13 O 0.60746 0.39254 0.12500 1.00000
O14 O 0.55469 0.03470 0.12217 1.00000
O15 O 0.72670 0.75515 0.55361 1.00000
O16 O 0.72670 0.24485 0.94639 1.00000
O17 O 0.75515 0.27330 0.30361 1.00000
O18 O 0.75515 0.72670 0.19639 1.00000
O19 O 0.96530 0.44531 0.12783 1.00000
O20 O 0.95226 0.04774 0.12500 1.00000
O21 O 0.96530 0.55469 0.37217 1.00000
O22 O 0.03470 0.55469 0.62783 1.00000
O23 O 0.24485 0.72670 0.80361 1.00000
O24 O 0.39254 0.60746 0.62500 1.00000
F1 F 0.24535 0.75465 0.12500 1.00000
F2 F 0.75465 0.24535 0.62500 1.00000
F3 F 0.75465 0.75465 0.87500 1.00000
F4 F 0.24535 0.24535 0.37500 1.00000
