LiFeSi3O8
Alexandria ALEXAlex-ID: agm005287133 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D8_60_spg2
LiFe(SiO3)2 SiO2
2023-05-10 22:23:50.390106
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287133).
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 agm005287133
data_agm005287133
_cell_length_a 7.52607
_cell_length_b 8.44797
_cell_length_c 9.28534
_cell_angle_alpha 116.08848
_cell_angle_beta 128.51789
_cell_angle_gamma 94.54523
_cell_volume 358.66536
_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 0.24534 0.47127 0.42944 1.00000
Li2 Li 0.75466 0.52873 0.57056 1.00000
Fe1 Fe 0.75309 0.07304 0.55167 1.00000
Fe2 Fe 0.24691 0.92696 0.44833 1.00000
Si1 Si 0.77484 0.93559 0.85330 1.00000
Si2 Si 0.61575 0.72653 0.90070 1.00000
Si3 Si 0.70777 0.63444 0.21711 1.00000
Si4 Si 0.29223 0.36556 0.78289 1.00000
Si5 Si 0.38425 0.27347 0.09930 1.00000
Si6 Si 0.22516 0.06441 0.14670 1.00000
O1 O 0.65679 0.95192 0.96083 1.00000
O2 O 0.94466 0.26499 0.54362 1.00000
O3 O 0.66691 0.46759 0.28044 1.00000
O4 O 0.32632 0.31683 0.26301 1.00000
O5 O 0.83126 0.75810 0.14258 1.00000
O6 O 0.83702 0.34533 0.63308 1.00000
O7 O 0.67894 0.81469 0.35220 1.00000
O8 O 0.66018 0.00362 0.68906 1.00000
O9 O 0.33982 0.99638 0.31094 1.00000
O10 O 0.32106 0.18531 0.64780 1.00000
O11 O 0.16298 0.65467 0.36692 1.00000
O12 O 0.16874 0.24190 0.85742 1.00000
O13 O 0.67368 0.68317 0.73699 1.00000
O14 O 0.33309 0.53241 0.71956 1.00000
O15 O 0.05534 0.73501 0.45638 1.00000
O16 O 0.34321 0.04808 0.03917 1.00000
