LiAl2V4O8
Alexandria ALEXAlex-ID: agm005223799 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D8_131_spg44
LiAlO2 V2O3 LiAl5O8 V
2023-05-06 22:16:14.511119
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005223799).
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 agm005223799
data_agm005223799
_cell_length_a 6.07036
_cell_length_b 6.07036
_cell_length_c 6.07036
_cell_angle_alpha 119.03957
_cell_angle_beta 118.01034
_cell_angle_gamma 92.57663
_cell_volume 161.50592
_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 0.87637 0.37637 0.50000 1.00000
Al1 Al 0.25906 0.00279 0.25627 1.00000
Al2 Al 0.74651 0.00279 0.74373 1.00000
V1 V 0.74382 0.52089 0.77707 1.00000
V2 V 0.27919 0.50832 0.77087 1.00000
V3 V 0.74382 0.96675 0.22293 1.00000
V4 V 0.73745 0.50832 0.22913 1.00000
O1 O 0.00692 0.77311 0.23381 1.00000
O2 O 0.49915 0.22629 0.72715 1.00000
O3 O 0.53930 0.77311 0.76619 1.00000
O4 O 0.99358 0.22558 0.23200 1.00000
O5 O 0.94124 0.22930 0.71195 1.00000
O6 O 0.99358 0.76159 0.76800 1.00000
O7 O 0.49915 0.77200 0.27285 1.00000
O8 O 0.51735 0.22930 0.28805 1.00000
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