Li3V3(FeO5)2
Alexandria ALEXAlex-ID: agm005286324 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3D10_6_spg2
LiVFeO4 Li3VO4 V2FeO4
2023-05-07 14:33:08.551250
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005286324).
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 agm005286324
data_agm005286324
_cell_length_a 5.14517
_cell_length_b 5.21325
_cell_length_c 7.97179
_cell_angle_alpha 73.31615
_cell_angle_beta 72.60874
_cell_angle_gamma 77.86918
_cell_volume 193.64646
_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
Li1 Li 0.17493 0.47182 0.60670 1.00000
Li2 Li 0.50000 0.00000 0.50000 1.00000
Li3 Li 0.82507 0.52818 0.39330 1.00000
V1 V 0.00000 0.50000 0.00000 1.00000
V2 V 0.31314 0.98390 0.89082 1.00000
V3 V 0.68686 0.01610 0.10918 1.00000
Fe1 Fe 0.10441 0.00490 0.31210 1.00000
Fe2 Fe 0.89559 0.99510 0.68790 1.00000
O1 O 0.04812 0.78369 0.12940 1.00000
O2 O 0.33147 0.21194 0.05162 1.00000
O3 O 0.11030 0.22273 0.47603 1.00000
O4 O 0.21077 0.73918 0.77878 1.00000
O5 O 0.49470 0.81964 0.31446 1.00000
O6 O 0.50530 0.18036 0.68554 1.00000
O7 O 0.78923 0.26082 0.22122 1.00000
O8 O 0.88970 0.77727 0.52397 1.00000
O9 O 0.66853 0.78806 0.94838 1.00000
O10 O 0.95188 0.21631 0.87060 1.00000
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