Li3V5O12
Alexandria ALEXAlex-ID: agm005240255 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C12_51_spg1
Li3VO4 VO2
2023-05-08 04:05:00.307797
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005240255).
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 agm005240255
data_agm005240255
_cell_length_a 5.01886
_cell_length_b 5.04211
_cell_length_c 9.22770
_cell_angle_alpha 94.42837
_cell_angle_beta 91.93322
_cell_angle_gamma 111.72798
_cell_volume 215.78473
_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 0.69622 0.95174 0.54174 1.00000
Li2 Li 0.84866 0.62162 0.99813 1.00000
Li3 Li 0.08319 0.96516 0.76547 1.00000
V1 V 0.93290 0.07813 0.24809 1.00000
V2 V 0.51123 0.01787 0.98516 1.00000
V3 V 0.00741 0.54443 0.52092 1.00000
V4 V 0.56479 0.45753 0.27467 1.00000
V5 V 0.41496 0.55773 0.74920 1.00000
O1 O 0.71802 0.22492 0.39658 1.00000
O2 O 0.23955 0.08731 0.15288 1.00000
O3 O 0.78501 0.31202 0.12893 1.00000
O4 O 0.46395 0.28499 0.88505 1.00000
O5 O 0.72481 0.59532 0.64699 1.00000
O6 O 0.08638 0.28534 0.65170 1.00000
O7 O 0.25674 0.44629 0.36732 1.00000
O8 O 0.87881 0.76963 0.38190 1.00000
O9 O 0.21016 0.70883 0.90449 1.00000
O10 O 0.61934 0.77245 0.14588 1.00000
O11 O 0.74588 0.91889 0.88191 1.00000
O12 O 0.31452 0.81695 0.61848 1.00000
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