LiIO4
Alexandria ALEXAlex-ID: agm005265199 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_470_spg14
LiIO3 I2O5 LiO8
2023-05-09 19:36:33.789993
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005265199).
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 agm005265199
data_agm005265199
_cell_length_a 8.72255
_cell_length_b 5.40333
_cell_length_c 8.52548
_cell_angle_alpha 67.54509
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 371.34728
_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 0.96151 0.58538 0.66750 1.00000
Li2 Li 0.46151 0.41462 0.83250 1.00000
Li3 Li 0.03849 0.41462 0.33250 1.00000
Li4 Li 0.53849 0.58538 0.16750 1.00000
I1 I 0.70688 0.15802 0.56700 1.00000
I2 I 0.20688 0.84198 0.93300 1.00000
I3 I 0.29312 0.84198 0.43300 1.00000
I4 I 0.79312 0.15802 0.06700 1.00000
O1 O 0.62847 0.37656 0.01842 1.00000
O2 O 0.12847 0.62344 0.48158 1.00000
O3 O 0.37153 0.62344 0.98158 1.00000
O4 O 0.87153 0.37656 0.51842 1.00000
O5 O 0.89488 0.18211 0.24334 1.00000
O6 O 0.39488 0.81789 0.25666 1.00000
O7 O 0.10512 0.81789 0.75666 1.00000
O8 O 0.60512 0.18211 0.74334 1.00000
O9 O 0.73227 0.81903 0.12338 1.00000
O10 O 0.23227 0.18097 0.37662 1.00000
O11 O 0.26773 0.18097 0.87662 1.00000
O12 O 0.76773 0.81903 0.62338 1.00000
O13 O 0.91937 0.25812 0.88731 1.00000
O14 O 0.41937 0.74188 0.61269 1.00000
O15 O 0.08063 0.74188 0.11269 1.00000
O16 O 0.58063 0.25812 0.38731 1.00000
