Li2V3Fe(SO4)6
Alexandria ALEXAlex-ID: agm010262249 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_10_spg1
V3O5 V2(SO4)3 V5S8 Li2Fe(SO4)2
2024-12-25 06:19:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010262249).
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 agm010262249
data_agm010262249
_cell_length_a 8.49245
_cell_length_b 8.47688
_cell_length_c 9.10758
_cell_angle_alpha 90.33318
_cell_angle_beta 117.52027
_cell_angle_gamma 120.02248
_cell_volume 478.86516
_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 0.93893 0.76067 0.36582 1.00000
Li2 Li 0.18725 0.42175 0.36532 1.00000
V1 V 0.70119 0.85373 0.55405 1.00000
V2 V 0.28683 0.64727 0.93281 1.00000
V3 V 0.71051 0.34867 0.06119 1.00000
Fe1 Fe 0.32210 0.15720 0.46578 1.00000
S1 S 0.19724 0.94705 0.74751 1.00000
S2 S 0.21769 0.75551 0.25310 1.00000
S3 S 0.80430 0.25807 0.75662 1.00000
S4 S 0.50072 0.46805 0.24957 1.00000
S5 S 0.49466 0.54386 0.74601 1.00000
S6 S 0.78825 0.03216 0.25351 1.00000
O1 O 0.02249 0.97020 0.71415 1.00000
O2 O 0.21385 0.95010 0.59045 1.00000
O3 O 0.30465 0.95833 0.31017 1.00000
O4 O 0.68084 0.66108 0.39167 1.00000
O5 O 0.60950 0.50232 0.89911 1.00000
O6 O 0.13818 0.75355 0.76765 1.00000
O7 O 0.34790 0.34608 0.30084 1.00000
O8 O 0.00566 0.63324 0.23848 1.00000
O9 O 0.18973 0.70387 0.08420 1.00000
O10 O 0.58942 0.89618 0.08324 1.00000
O11 O 0.60785 0.38524 0.23007 1.00000
O12 O 0.36267 0.70560 0.38584 1.00000
O13 O 0.65243 0.29971 0.63274 1.00000
O14 O 0.39640 0.63293 0.77828 1.00000
O15 O 0.39699 0.09724 0.90307 1.00000
O16 O 0.83538 0.28970 0.92950 1.00000
O17 O 0.01556 0.38296 0.77120 1.00000
O18 O 0.65003 0.68031 0.70038 1.00000
O19 O 0.87160 0.23126 0.24415 1.00000
O20 O 0.38393 0.50076 0.08634 1.00000
O21 O 0.31634 0.36686 0.59085 1.00000
O22 O 0.71846 0.05205 0.68992 1.00000
O23 O 0.73958 0.01550 0.39244 1.00000
O24 O 0.95390 0.99322 0.29319 1.00000
