Li3MnV8O16
Alexandria ALEXAlex-ID: agm021052425 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8D16_3_spg115
V3O5 Li3VO4 V2O3 MnV2O4
2025-02-05 13:55:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021052425).
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 agm021052425
data_agm021052425
_cell_length_a 6.10703
_cell_length_b 6.11169
_cell_length_c 8.33186
_cell_angle_alpha 90.00000
_cell_angle_beta 89.98905
_cell_angle_gamma 90.00000
_cell_volume 310.98027
_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 0.01513 0.00000 0.00058 1.00000
Li2 Li 0.99837 0.50000 0.75450 1.00000
Li3 Li 0.49807 0.00000 0.24495 1.00000
Mn1 Mn 0.49609 0.50000 0.50140 1.00000
V1 V 0.99481 0.24560 0.37208 1.00000
V2 V 0.50202 0.74824 0.87782 1.00000
V3 V 0.99481 0.75440 0.37208 1.00000
V4 V 0.50202 0.25176 0.87782 1.00000
V5 V 0.25025 0.50000 0.11987 1.00000
V6 V 0.75416 0.00000 0.63635 1.00000
V7 V 0.74253 0.50000 0.12470 1.00000
V8 V 0.24941 0.00000 0.62401 1.00000
O1 O 0.99563 0.73026 0.14826 1.00000
O2 O 0.50851 0.21629 0.63033 1.00000
O3 O 0.99563 0.26974 0.14826 1.00000
O4 O 0.50851 0.78371 0.63033 1.00000
O5 O 0.78107 0.50000 0.37211 1.00000
O6 O 0.28539 0.00000 0.86159 1.00000
O7 O 0.21094 0.50000 0.37109 1.00000
O8 O 0.74936 0.00000 0.85462 1.00000
O9 O 0.49960 0.27581 0.11728 1.00000
O10 O 0.99505 0.77526 0.60581 1.00000
O11 O 0.49960 0.72419 0.11728 1.00000
O12 O 0.99505 0.22474 0.60581 1.00000
O13 O 0.71941 0.50000 0.88002 1.00000
O14 O 0.21191 0.00000 0.38027 1.00000
O15 O 0.27026 0.50000 0.88517 1.00000
O16 O 0.77687 0.00000 0.39002 1.00000
