LiLaV4O12
Alexandria ALEXAlex-ID: agm005242234 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_106_spg38
LaV3O9 LiVO3
2024-10-15 23:08:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005242234).
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 agm005242234
data_agm005242234
_cell_length_a 5.88483
_cell_length_b 5.88483
_cell_length_c 6.95892
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.84373
_cell_volume 232.95370
_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 0.93968 0.06032 0.50000 1.00000
La1 La 0.46769 0.53231 0.00000 1.00000
V1 V 0.45651 0.03033 0.25628 1.00000
V2 V 0.45651 0.03033 0.74372 1.00000
V3 V 0.96967 0.54349 0.74372 1.00000
V4 V 0.96967 0.54349 0.25628 1.00000
O1 O 0.23511 0.15737 0.25497 1.00000
O2 O 0.84263 0.76489 0.25497 1.00000
O3 O 0.84263 0.76489 0.74503 1.00000
O4 O 0.23511 0.15737 0.74503 1.00000
O5 O 0.29155 0.70845 0.28289 1.00000
O6 O 0.69132 0.30868 0.20414 1.00000
O7 O 0.69132 0.30868 0.79586 1.00000
O8 O 0.29155 0.70845 0.71711 1.00000
O9 O 0.50776 0.94478 0.00000 1.00000
O10 O 0.57948 0.02845 0.50000 1.00000
O11 O 0.05522 0.49224 0.00000 1.00000
O12 O 0.97155 0.42052 0.50000 1.00000
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