LiV(PO3)4
Alexandria ALEXAlex-ID: agm005227189 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_2_spg15
LiV(PO3)4
2024-10-15 22:52:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005227189).
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 agm005227189
data_agm005227189
_cell_length_a 7.32586
_cell_length_b 7.32586
_cell_length_c 10.02087
_cell_angle_alpha 67.54433
_cell_angle_beta 67.54433
_cell_angle_gamma 70.17629
_cell_volume 447.42780
_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 0.03153 0.96847 0.75000 1.00000
Li2 Li 0.96847 0.03153 0.25000 1.00000
V1 V 0.00000 0.50000 0.00000 1.00000
V2 V 0.50000 0.00000 0.50000 1.00000
P1 P 0.69728 0.67952 0.30482 1.00000
P2 P 0.25910 0.72983 0.47260 1.00000
P3 P 0.30272 0.32048 0.69518 1.00000
P4 P 0.27017 0.74090 0.02740 1.00000
P5 P 0.67952 0.69728 0.80482 1.00000
P6 P 0.74090 0.27017 0.52740 1.00000
P7 P 0.72983 0.25910 0.97260 1.00000
P8 P 0.32048 0.30272 0.19518 1.00000
O1 O 0.65338 0.80511 0.65071 1.00000
O2 O 0.31402 0.81102 0.56917 1.00000
O3 O 0.46725 0.66785 0.34433 1.00000
O4 O 0.09420 0.84974 0.40462 1.00000
O5 O 0.86921 0.70160 0.82967 1.00000
O6 O 0.81102 0.31402 0.06917 1.00000
O7 O 0.21236 0.50980 0.57225 1.00000
O8 O 0.15026 0.90580 0.09538 1.00000
O9 O 0.49020 0.78764 0.92775 1.00000
O10 O 0.33215 0.53275 0.15567 1.00000
O11 O 0.80511 0.65338 0.15071 1.00000
O12 O 0.29840 0.13079 0.67033 1.00000
O13 O 0.70160 0.86921 0.32967 1.00000
O14 O 0.34662 0.19489 0.34929 1.00000
O15 O 0.66785 0.46725 0.84433 1.00000
O16 O 0.50980 0.21236 0.07225 1.00000
O17 O 0.19489 0.34662 0.84929 1.00000
O18 O 0.78764 0.49020 0.42775 1.00000
O19 O 0.18898 0.68598 0.93083 1.00000
O20 O 0.13079 0.29840 0.17033 1.00000
O21 O 0.90580 0.15026 0.59538 1.00000
O22 O 0.53275 0.33215 0.65567 1.00000
O23 O 0.68598 0.18898 0.43083 1.00000
O24 O 0.84974 0.09420 0.90462 1.00000
