LiV2(P2O7)2
Alexandria ALEXAlex-ID: agm011024651 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D14_62_spg4
LiVP2O7 VP2O7
2025-03-05 07:15:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011024651).
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 agm011024651
data_agm011024651
_cell_length_a 7.25446
_cell_length_b 8.16895
_cell_length_c 9.68487
_cell_angle_alpha 90.37297
_cell_angle_beta 111.14553
_cell_angle_gamma 89.86303
_cell_volume 535.28196
_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 0.92540 0.13573 0.24885 1.00000
Li2 Li 0.07634 0.63792 0.74811 1.00000
V1 V 0.96730 0.50563 0.24246 1.00000
V2 V 0.46700 0.49082 0.74226 1.00000
V3 V 0.52991 0.99210 0.25655 1.00000
V4 V 0.03063 0.00456 0.75787 1.00000
P1 P 0.16617 0.22463 0.07025 1.00000
P2 P 0.54775 0.32075 0.06301 1.00000
P3 P 0.96208 0.81711 0.44017 1.00000
P4 P 0.65738 0.22229 0.56784 1.00000
P5 P 0.34547 0.71674 0.43584 1.00000
P6 P 0.03623 0.31709 0.55849 1.00000
P7 P 0.45286 0.81847 0.93677 1.00000
P8 P 0.83500 0.71525 0.93101 1.00000
O1 O 0.34367 0.35371 0.08822 1.00000
O2 O 0.24714 0.07404 0.16645 1.00000
O3 O 0.49001 0.81983 0.10138 1.00000
O4 O 0.62486 0.15216 0.12447 1.00000
O5 O 0.68634 0.45790 0.14712 1.00000
O6 O 0.93662 0.66954 0.09541 1.00000
O7 O 0.02574 0.31867 0.13011 1.00000
O8 O 0.48925 0.80883 0.38731 1.00000
O9 O 0.56435 0.17271 0.40602 1.00000
O10 O 0.83357 0.95195 0.34422 1.00000
O11 O 0.89597 0.64527 0.37561 1.00000
O12 O 0.00153 0.32804 0.39112 1.00000
O13 O 0.24098 0.57006 0.33661 1.00000
O14 O 0.17682 0.84938 0.43151 1.00000
O15 O 0.82974 0.35725 0.57844 1.00000
O16 O 0.75018 0.07965 0.67022 1.00000
O17 O 0.98383 0.81925 0.60297 1.00000
O18 O 0.10302 0.14719 0.61326 1.00000
O19 O 0.17122 0.45537 0.64983 1.00000
O20 O 0.43858 0.65729 0.59736 1.00000
O21 O 0.51290 0.32196 0.61804 1.00000
O22 O 0.97970 0.79840 0.87411 1.00000
O23 O 0.06642 0.18629 0.90685 1.00000
O24 O 0.31981 0.95244 0.84683 1.00000
O25 O 0.37836 0.64836 0.86531 1.00000
O26 O 0.50120 0.33274 0.89458 1.00000
O27 O 0.74284 0.56175 0.83795 1.00000
O28 O 0.66558 0.84619 0.91935 1.00000
