LiVSiO4
Alexandria ALEXAlex-ID: agm005256679 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_241_spg14
LiV(SiO3)2 V2O3 Li2SiO3
2022-12-13 01:15:52.566246
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005256679).
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 agm005256679
data_agm005256679
_cell_length_a 5.89204
_cell_length_b 5.19046
_cell_length_c 10.41824
_cell_angle_alpha 66.08824
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 291.26852
_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 0.63297 0.91572 0.93531 1.00000
Li2 Li 0.13297 0.08428 0.56469 1.00000
Li3 Li 0.86703 0.91572 0.43531 1.00000
Li4 Li 0.36703 0.08428 0.06469 1.00000
V1 V 0.61640 0.45884 0.34801 1.00000
V2 V 0.11640 0.54116 0.15199 1.00000
V3 V 0.88360 0.45884 0.84801 1.00000
V4 V 0.38360 0.54116 0.65199 1.00000
Si1 Si 0.64980 0.10256 0.63822 1.00000
Si2 Si 0.14980 0.89744 0.86178 1.00000
Si3 Si 0.85020 0.10256 0.13822 1.00000
Si4 Si 0.35020 0.89744 0.36178 1.00000
O1 O 0.65889 0.24705 0.75253 1.00000
O2 O 0.13552 0.24373 0.77972 1.00000
O3 O 0.41667 0.25312 0.55014 1.00000
O4 O 0.83469 0.21052 0.51096 1.00000
O5 O 0.33469 0.78948 0.98904 1.00000
O6 O 0.91667 0.74688 0.94986 1.00000
O7 O 0.84111 0.24705 0.25253 1.00000
O8 O 0.36448 0.24373 0.27972 1.00000
O9 O 0.63552 0.75627 0.72028 1.00000
O10 O 0.15889 0.75295 0.74747 1.00000
O11 O 0.08333 0.25312 0.05014 1.00000
O12 O 0.66531 0.21052 0.01096 1.00000
O13 O 0.16531 0.78948 0.48904 1.00000
O14 O 0.58333 0.74688 0.44986 1.00000
O15 O 0.86448 0.75627 0.22028 1.00000
O16 O 0.34111 0.75295 0.24747 1.00000
