V2FeSiO6
Alexandria ALEXAlex-ID: agm004947992 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
V2FeO4 SiO2
2022-07-31 07:39:39.376410
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004947992).
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
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# CIF generated by HEAS from Alexandria entry agm004947992
data_agm004947992
_cell_length_a 5.03021
_cell_length_b 5.12336
_cell_length_c 5.39071
_cell_angle_alpha 61.83868
_cell_angle_beta 63.34390
_cell_angle_gamma 59.33482
_cell_volume 101.31620
_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 0.52654 0.52284 0.43283 1.00000
V2 V 0.02261 0.00507 0.96266 1.00000
Fe1 Fe 0.79951 0.80890 0.58054 1.00000
Si1 Si 0.31960 0.32238 0.03572 1.00000
O1 O 0.58007 0.22852 0.23610 1.00000
O2 O 0.23889 0.96414 0.22652 1.00000
O3 O 0.95914 0.56968 0.22813 1.00000
O4 O 0.39552 0.69355 0.77478 1.00000
O5 O 0.69033 0.13584 0.77353 1.00000
O6 O 0.12939 0.41067 0.76439 1.00000
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