Li3VO12
Alexandria ALEXAlex-ID: agm005233822 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_53_spg1
Li3VO4 LiVO3 LiO8
2023-05-07 06:58:02.890351
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005233822).
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 agm005233822
data_agm005233822
_cell_length_a 5.71277
_cell_length_b 5.89702
_cell_length_c 6.06814
_cell_angle_alpha 92.17328
_cell_angle_beta 91.14070
_cell_angle_gamma 103.51078
_cell_volume 198.53834
_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 0.03985 0.46959 0.37825 1.00000
Li2 Li 0.41316 0.00598 0.47703 1.00000
Li3 Li 0.55345 0.70028 0.03049 1.00000
V1 V 0.14204 0.24830 0.91577 1.00000
O1 O 0.14684 0.35181 0.66449 1.00000
O2 O 0.81960 0.19803 0.02181 1.00000
O3 O 0.26123 0.44980 0.12141 1.00000
O4 O 0.31883 0.99884 0.95913 1.00000
O5 O 0.38882 0.88120 0.79171 1.00000
O6 O 0.05592 0.82613 0.36636 1.00000
O7 O 0.85942 0.98625 0.94309 1.00000
O8 O 0.61294 0.42548 0.82545 1.00000
O9 O 0.65841 0.32889 0.46779 1.00000
O10 O 0.65451 0.82593 0.34791 1.00000
O11 O 0.87948 0.93752 0.42293 1.00000
O12 O 0.70495 0.49306 0.63384 1.00000
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