LiVSiO4
Alexandria ALEXAlex-ID: agm005273567 · Space group: Pna2_1 (#33)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_6_spg33
LiV(SiO3)2 V2O3 Li2SiO3
2022-12-13 01:08:38.924263
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005273567).
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 agm005273567
data_agm005273567
_cell_length_a 5.10145
_cell_length_b 6.80906
_cell_length_c 10.43823
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 362.58335
_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 0.18509 0.78722 0.65610 1.00000
Li2 Li 0.68509 0.28722 0.84390 1.00000
Li3 Li 0.31491 0.78722 0.15610 1.00000
Li4 Li 0.81491 0.28722 0.34390 1.00000
V1 V 0.18234 0.28233 0.65859 1.00000
V2 V 0.68234 0.78233 0.84141 1.00000
V3 V 0.31766 0.28233 0.15859 1.00000
V4 V 0.81766 0.78233 0.34141 1.00000
Si1 Si 0.68163 0.53795 0.59378 1.00000
Si2 Si 0.18163 0.03795 0.90622 1.00000
Si3 Si 0.81837 0.53795 0.09378 1.00000
Si4 Si 0.31837 0.03795 0.40622 1.00000
O1 O 0.24568 0.04708 0.55943 1.00000
O2 O 0.36310 0.52729 0.61795 1.00000
O3 O 0.81203 0.34182 0.66110 1.00000
O4 O 0.79858 0.73449 0.66665 1.00000
O5 O 0.29858 0.23449 0.83335 1.00000
O6 O 0.31203 0.84182 0.83890 1.00000
O7 O 0.86310 0.02729 0.88205 1.00000
O8 O 0.74568 0.54708 0.94057 1.00000
O9 O 0.25432 0.04708 0.05943 1.00000
O10 O 0.13690 0.52729 0.11795 1.00000
O11 O 0.68797 0.34182 0.16110 1.00000
O12 O 0.70142 0.73449 0.16665 1.00000
O13 O 0.20142 0.23449 0.33335 1.00000
O14 O 0.18797 0.84182 0.33890 1.00000
O15 O 0.63690 0.02729 0.38205 1.00000
O16 O 0.75432 0.54708 0.44057 1.00000
