LiV2BO5
Alexandria ALEXAlex-ID: agm006220573 · Space group: Pbam (#55)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_759_spg55
LiV2BO5
2024-01-29 07:51:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006220573).
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 agm006220573
data_agm006220573
_cell_length_a 3.05522
_cell_length_b 9.32400
_cell_length_c 12.39965
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 353.22661
_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
B1 B 0.50000 0.22342 0.86145 1.00000
B2 B 0.50000 0.27658 0.36145 1.00000
B3 B 0.50000 0.72342 0.63855 1.00000
B4 B 0.50000 0.77658 0.13855 1.00000
Li1 Li 0.00000 0.00000 0.00000 1.00000
Li2 Li 0.50000 0.00000 0.50000 1.00000
Li3 Li 0.00000 0.50000 0.50000 1.00000
Li4 Li 0.50000 0.50000 0.00000 1.00000
O1 O 0.00000 0.11030 0.15023 1.00000
O2 O 0.00000 0.11798 0.58156 1.00000
O3 O 0.50000 0.12599 0.35125 1.00000
O4 O 0.50000 0.14400 0.76316 1.00000
O5 O 0.50000 0.15457 0.95654 1.00000
O6 O 0.50000 0.34543 0.45654 1.00000
O7 O 0.50000 0.35600 0.26316 1.00000
O8 O 0.50000 0.37401 0.85125 1.00000
O9 O 0.00000 0.38202 0.08156 1.00000
O10 O 0.00000 0.38970 0.65023 1.00000
O11 O 0.00000 0.61030 0.34977 1.00000
O12 O 0.00000 0.61798 0.91844 1.00000
O13 O 0.50000 0.62599 0.14875 1.00000
O14 O 0.50000 0.64400 0.73684 1.00000
O15 O 0.50000 0.65457 0.54346 1.00000
O16 O 0.50000 0.84543 0.04346 1.00000
O17 O 0.50000 0.85600 0.23684 1.00000
O18 O 0.50000 0.87401 0.64875 1.00000
O19 O 0.00000 0.88202 0.41844 1.00000
O20 O 0.00000 0.88970 0.84977 1.00000
V1 V 0.00000 0.00285 0.28340 1.00000
V2 V 0.50000 0.24089 0.10884 1.00000
V3 V 0.50000 0.25911 0.60884 1.00000
V4 V 0.00000 0.49715 0.78340 1.00000
V5 V 0.00000 0.50285 0.21660 1.00000
V6 V 0.50000 0.74089 0.39116 1.00000
V7 V 0.50000 0.75911 0.89116 1.00000
V8 V 0.00000 0.99715 0.71660 1.00000
