LiV5O10
Alexandria ALEXAlex-ID: agm005241194 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C10_22_spg1
Li3VO4 VO2 V3O5
2023-05-07 07:15:14.257454
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005241194).
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 agm005241194
data_agm005241194
_cell_length_a 5.13019
_cell_length_b 5.15553
_cell_length_c 7.86723
_cell_angle_alpha 71.36704
_cell_angle_beta 72.78818
_cell_angle_gamma 79.83122
_cell_volume 187.56848
_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 0.38844 0.46383 0.43776 1.00000
V1 V 0.03960 0.91030 0.69017 1.00000
V2 V 0.50887 0.98281 0.00964 1.00000
V3 V 0.01822 0.31523 0.88507 1.00000
V4 V 0.00040 0.65198 0.13122 1.00000
V5 V 0.97328 0.05913 0.32883 1.00000
O1 O 0.22982 0.95056 0.87740 1.00000
O2 O 0.79817 0.87376 0.54451 1.00000
O3 O 0.80558 0.65406 0.94542 1.00000
O4 O 0.24380 0.76895 0.23786 1.00000
O5 O 0.21298 0.53208 0.68559 1.00000
O6 O 0.78970 0.43525 0.32240 1.00000
O7 O 0.77636 0.18401 0.79074 1.00000
O8 O 0.21458 0.30979 0.07244 1.00000
O9 O 0.21893 0.11210 0.47565 1.00000
O10 O 0.78682 0.00951 0.14738 1.00000
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