Na2LiV3Fe(PO4)6
Alexandria ALEXAlex-ID: agm010317809 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D3E6F24_0_spg1
NaV2(PO4)3 NaFeP2O7 LiVPO5
2024-12-24 15:22:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010317809).
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 agm010317809
data_agm010317809
_cell_length_a 8.52979
_cell_length_b 8.53273
_cell_length_c 8.81586
_cell_angle_alpha 90.77675
_cell_angle_beta 118.22758
_cell_angle_gamma 119.88128
_cell_volume 463.36653
_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
Na1 Na 0.99702 0.99535 0.00572 1.00000
Na2 Na 0.99449 0.53160 0.49904 1.00000
Li1 Li 0.08607 0.23267 0.67310 1.00000
V1 V 0.28849 0.64625 0.93941 1.00000
V2 V 0.70043 0.84947 0.55889 1.00000
V3 V 0.71553 0.35707 0.06869 1.00000
Fe1 Fe 0.28699 0.14021 0.43873 1.00000
P1 P 0.21341 0.96126 0.75103 1.00000
P2 P 0.50032 0.53465 0.75662 1.00000
P3 P 0.78601 0.24837 0.74892 1.00000
P4 P 0.20801 0.74829 0.24839 1.00000
P5 P 0.49652 0.46279 0.24695 1.00000
P6 P 0.78938 0.04325 0.25513 1.00000
O1 O 0.64259 0.51366 0.93438 1.00000
O2 O 0.81656 0.30059 0.93349 1.00000
O3 O 0.42917 0.12851 0.92257 1.00000
O4 O 0.03495 0.98036 0.73951 1.00000
O5 O 0.16910 0.76674 0.77394 1.00000
O6 O 0.21138 0.96497 0.57671 1.00000
O7 O 0.65768 0.69249 0.71798 1.00000
O8 O 0.36941 0.59922 0.78126 1.00000
O9 O 0.99700 0.39131 0.75498 1.00000
O10 O 0.40362 0.76597 0.41449 1.00000
O11 O 0.22561 0.93550 0.25612 1.00000
O12 O 0.65625 0.65697 0.40973 1.00000
O13 O 0.31953 0.33930 0.60374 1.00000
O14 O 0.76181 0.05267 0.72594 1.00000
O15 O 0.59864 0.24147 0.59014 1.00000
O16 O 0.00586 0.59026 0.24167 1.00000
O17 O 0.64725 0.41957 0.23785 1.00000
O18 O 0.33696 0.30557 0.28065 1.00000
O19 O 0.80319 0.03553 0.43793 1.00000
O20 O 0.81732 0.23470 0.23932 1.00000
O21 O 0.96716 0.03666 0.25913 1.00000
O22 O 0.56792 0.87746 0.09115 1.00000
O23 O 0.18271 0.68015 0.06871 1.00000
O24 O 0.36667 0.48914 0.06797 1.00000
