K2LiV3In(PO4)6
Alexandria ALEXAlex-ID: agm010316488 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D3E6F24_0_spg1
KV2(PO4)3 LiVPO5 KInP2O7
2025-01-18 13:27:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010316488).
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 agm010316488
data_agm010316488
_cell_length_a 8.47365
_cell_length_b 8.48248
_cell_length_c 9.11399
_cell_angle_alpha 90.68018
_cell_angle_beta 116.55676
_cell_angle_gamma 119.78797
_cell_volume 484.89969
_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
K1 K 0.99650 0.98473 0.99985 1.00000
K2 K 0.02884 0.50493 0.49474 1.00000
Li1 Li 0.55707 0.40506 0.33872 1.00000
V1 V 0.69993 0.34972 0.05012 1.00000
V2 V 0.29676 0.13993 0.45530 1.00000
V3 V 0.29286 0.64793 0.94093 1.00000
In1 In 0.69462 0.84618 0.54674 1.00000
P1 P 0.20473 0.45894 0.24401 1.00000
P2 P 0.78025 0.74317 0.24090 1.00000
P3 P 0.49973 0.03963 0.24850 1.00000
P4 P 0.49566 0.96425 0.75703 1.00000
P5 P 0.22441 0.25569 0.75375 1.00000
P6 P 0.78386 0.52404 0.74024 1.00000
O1 O 0.59757 0.73110 0.08135 1.00000
O2 O 0.35406 0.87761 0.07763 1.00000
O3 O 0.22184 0.50478 0.08260 1.00000
O4 O 0.26301 0.31012 0.28338 1.00000
O5 O 0.97455 0.37302 0.19796 1.00000
O6 O 0.35316 0.63928 0.39775 1.00000
O7 O 0.98581 0.94366 0.30541 1.00000
O8 O 0.81994 0.59342 0.19363 1.00000
O9 O 0.60580 0.23969 0.22150 1.00000
O10 O 0.33083 0.98165 0.60254 1.00000
O11 O 0.66617 0.97886 0.72968 1.00000
O12 O 0.26588 0.26613 0.59912 1.00000
O13 O 0.72626 0.68707 0.38203 1.00000
O14 O 0.34660 0.03631 0.30551 1.00000
O15 O 0.67498 0.02829 0.39097 1.00000
O16 O 0.36880 0.77226 0.78553 1.00000
O17 O 0.18920 0.41296 0.77621 1.00000
O18 O 0.03419 0.05762 0.71239 1.00000
O19 O 0.61136 0.35147 0.57109 1.00000
O20 O 0.00394 0.58530 0.77318 1.00000
O21 O 0.74943 0.68528 0.72107 1.00000
O22 O 0.77568 0.46884 0.89781 1.00000
O23 O 0.60629 0.11524 0.92775 1.00000
O24 O 0.41942 0.29685 0.92308 1.00000
