LiVSiO4
Alexandria ALEXAlex-ID: agm005219002 · Space group: Pc (#7)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_16_spg7
LiV(SiO3)2 V2O3 Li2SiO3
2022-12-13 01:32:11.820025
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005219002).
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 agm005219002
data_agm005219002
_cell_length_a 5.45598
_cell_length_b 8.17619
_cell_length_c 8.44207
_cell_angle_alpha 106.83911
_cell_angle_beta 89.99936
_cell_angle_gamma 90.00004
_cell_volume 360.44564
_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 0.84244 0.96920 0.07251 1.00000
Li2 Li 0.15756 0.96920 0.57251 1.00000
Li3 Li 0.34155 0.50446 0.28920 1.00000
Li4 Li 0.65845 0.50447 0.78921 1.00000
V1 V 0.66316 0.86030 0.69546 1.00000
V2 V 0.83579 0.37091 0.39386 1.00000
V3 V 0.33687 0.86029 0.19547 1.00000
V4 V 0.16420 0.37091 0.89387 1.00000
Si1 Si 0.66146 0.24692 0.01258 1.00000
Si2 Si 0.33853 0.24692 0.51258 1.00000
Si3 Si 0.83538 0.74054 0.32281 1.00000
Si4 Si 0.16462 0.74055 0.82281 1.00000
O1 O 0.17118 0.88980 0.00434 1.00000
O2 O 0.82882 0.88977 0.50433 1.00000
O3 O 0.38389 0.32549 0.05429 1.00000
O4 O 0.61611 0.32550 0.55429 1.00000
O5 O 0.68549 0.81011 0.18498 1.00000
O6 O 0.31452 0.81011 0.68498 1.00000
O7 O 0.12427 0.69764 0.26486 1.00000
O8 O 0.87573 0.69764 0.76487 1.00000
O9 O 0.78002 0.21488 0.18083 1.00000
O10 O 0.21995 0.21489 0.68083 1.00000
O11 O 0.69417 0.57396 0.35155 1.00000
O12 O 0.30584 0.57397 0.85156 1.00000
O13 O 0.18156 0.38214 0.43987 1.00000
O14 O 0.81843 0.38215 0.93988 1.00000
O15 O 0.31308 0.05243 0.38665 1.00000
O16 O 0.68693 0.05243 0.88663 1.00000
