LiVSiO4
Alexandria ALEXAlex-ID: agm005253207 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_361_spg74
LiV(SiO3)2 V2O3 Li2SiO3
2023-03-27 07:44:24.622630
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005253207).
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 agm005253207
data_agm005253207
_cell_length_a 5.70416
_cell_length_b 9.81604
_cell_length_c 5.70422
_cell_angle_alpha 72.22424
_cell_angle_beta 117.08894
_cell_angle_gamma 89.35987
_cell_volume 266.49679
_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 0.00001 0.00000 0.00001 1.00000
Li2 Li 0.49999 0.50000 0.99999 1.00000
Li3 Li 0.75000 0.25000 1.00000 1.00000
Li4 Li 0.25000 0.75000 1.00000 1.00000
V1 V 0.75000 0.75000 0.00000 1.00000
V2 V 0.75000 0.25000 0.50000 1.00000
V3 V 0.25000 0.25000 0.00000 1.00000
V4 V 0.25000 0.75000 0.50000 1.00000
Si1 Si 0.18404 0.43409 0.38178 1.00000
Si2 Si 0.68411 0.93409 0.38185 1.00000
Si3 Si 0.81589 0.56591 0.61815 1.00000
Si4 Si 0.31596 0.06591 0.61822 1.00000
O1 O 0.64267 0.62408 0.27043 1.00000
O2 O 0.14275 0.12408 0.27050 1.00000
O3 O 0.89448 0.37593 0.26674 1.00000
O4 O 0.39456 0.87593 0.26682 1.00000
O5 O 0.10544 0.62407 0.73318 1.00000
O6 O 0.60551 0.12407 0.73325 1.00000
O7 O 0.35725 0.37592 0.72950 1.00000
O8 O 0.85733 0.87592 0.72957 1.00000
O9 O 0.12580 0.61749 0.25667 1.00000
O10 O 0.62586 0.11750 0.25672 1.00000
O11 O 0.36743 0.37583 0.25666 1.00000
O12 O 0.86749 0.87583 0.25671 1.00000
O13 O 0.87414 0.38250 0.74328 1.00000
O14 O 0.37420 0.88251 0.74333 1.00000
O15 O 0.63251 0.62417 0.74329 1.00000
O16 O 0.13257 0.12417 0.74334 1.00000
