Li2MnV4CuO12
Alexandria ALEXAlex-ID: agm005284299 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4E12_6_spg5
Mn2V2O7 LiVO3 LiV2O5 Cu CuO
2023-05-08 03:38:36.648233
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284299).
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 agm005284299
data_agm005284299
_cell_length_a 7.08633
_cell_length_b 7.08633
_cell_length_c 5.70395
_cell_angle_alpha 73.65521
_cell_angle_beta 73.65521
_cell_angle_gamma 86.43797
_cell_volume 263.70039
_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 0.21189 0.78811 0.50000 1.00000
Li2 Li 0.78983 0.21017 0.00000 1.00000
Mn1 Mn 0.89942 0.10058 0.50000 1.00000
V1 V 0.59789 0.78084 0.01706 1.00000
V2 V 0.79496 0.60637 0.51131 1.00000
V3 V 0.21916 0.40211 0.98294 1.00000
V4 V 0.39363 0.20504 0.48869 1.00000
Cu1 Cu 0.12427 0.87573 0.00000 1.00000
O1 O 0.76822 0.97232 0.88849 1.00000
O2 O 0.36867 0.86524 0.12900 1.00000
O3 O 0.96767 0.80543 0.38336 1.00000
O4 O 0.60428 0.66618 0.77285 1.00000
O5 O 0.13476 0.63133 0.87100 1.00000
O6 O 0.67417 0.61066 0.26722 1.00000
O7 O 0.33382 0.39572 0.22715 1.00000
O8 O 0.87875 0.37297 0.62034 1.00000
O9 O 0.38934 0.32583 0.73278 1.00000
O10 O 0.02768 0.23178 0.11151 1.00000
O11 O 0.62703 0.12125 0.37966 1.00000
O12 O 0.19457 0.03233 0.61664 1.00000
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