LiV2CrO6
Alexandria ALEXAlex-ID: agm005249080 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2121_spg1
LiVCrO4 VO2
2023-05-08 05:28:52.232618
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005249080).
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 agm005249080
data_agm005249080
_cell_length_a 5.03617
_cell_length_b 5.04006
_cell_length_c 9.61149
_cell_angle_alpha 90.14973
_cell_angle_beta 104.99604
_cell_angle_gamma 119.51635
_cell_volume 202.60050
_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 0.28562 0.14501 0.42693 1.00000
Li2 Li 0.27834 0.63651 0.92656 1.00000
V1 V 0.99907 0.49534 0.50371 1.00000
V2 V 0.01305 0.01408 0.00426 1.00000
V3 V 0.48767 0.24233 0.74503 1.00000
V4 V 0.50311 0.75713 0.24535 1.00000
Cr1 Cr 0.80649 0.40591 0.20312 1.00000
Cr2 Cr 0.79905 0.89560 0.70354 1.00000
O1 O 0.38952 0.88484 0.60849 1.00000
O2 O 0.38370 0.37104 0.10598 1.00000
O3 O 0.74170 0.51237 0.60436 1.00000
O4 O 0.73545 0.01630 0.10831 1.00000
O5 O 0.09687 0.21711 0.60839 1.00000
O6 O 0.10873 0.72615 0.10827 1.00000
O7 O 0.86180 0.21334 0.85344 1.00000
O8 O 0.85271 0.73754 0.34657 1.00000
O9 O 0.21027 0.97435 0.84850 1.00000
O10 O 0.21067 0.49540 0.35489 1.00000
O11 O 0.61504 0.61555 0.84719 1.00000
O12 O 0.62115 0.14408 0.34869 1.00000
Get direct link