LiV3ZnSe2(SO6)4
Alexandria ALEXAlex-ID: agm010319952 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D3E4F24_0_spg1
VSO5 ZnSO4 Li2S2O7 SeO2 V2Se2O9
2025-01-26 07:47:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010319952).
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 agm010319952
data_agm010319952
_cell_length_a 8.46563
_cell_length_b 8.47644
_cell_length_c 9.17395
_cell_angle_alpha 90.20727
_cell_angle_beta 118.15532
_cell_angle_gamma 119.14789
_cell_volume 483.05483
_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 0.05558 0.23714 0.64017 1.00000
V1 V 0.28443 0.64763 0.93500 1.00000
V2 V 0.71373 0.34989 0.06132 1.00000
V3 V 0.29759 0.15354 0.45295 1.00000
Zn1 Zn 0.70330 0.84396 0.55529 1.00000
Se1 Se 0.50616 0.46338 0.25438 1.00000
Se2 Se 0.20429 0.74830 0.24574 1.00000
S1 S 0.22048 0.96419 0.74555 1.00000
S2 S 0.78713 0.25293 0.74593 1.00000
S3 S 0.49594 0.53533 0.75440 1.00000
S4 S 0.79468 0.04165 0.25628 1.00000
O1 O 0.15351 0.69639 0.04499 1.00000
O2 O 0.59048 0.87962 0.11023 1.00000
O3 O 0.05134 0.99921 0.71035 1.00000
O4 O 0.25807 0.97852 0.60133 1.00000
O5 O 0.28686 0.97524 0.29560 1.00000
O6 O 0.70987 0.67266 0.40205 1.00000
O7 O 0.34383 0.47425 0.06079 1.00000
O8 O 0.15742 0.77304 0.76303 1.00000
O9 O 0.33531 0.33414 0.31470 1.00000
O10 O 0.97256 0.60235 0.23405 1.00000
O11 O 0.60187 0.34648 0.21956 1.00000
O12 O 0.37900 0.70498 0.38700 1.00000
O13 O 0.62331 0.28416 0.61539 1.00000
O14 O 0.38621 0.61598 0.78047 1.00000
O15 O 0.99386 0.38455 0.75418 1.00000
O16 O 0.63992 0.65878 0.70252 1.00000
O17 O 0.84336 0.22005 0.20966 1.00000
O18 O 0.61617 0.50184 0.91678 1.00000
O19 O 0.31324 0.34404 0.61645 1.00000
O20 O 0.72741 0.05757 0.69824 1.00000
O21 O 0.78638 0.05815 0.41380 1.00000
O22 O 0.97083 0.01615 0.29362 1.00000
O23 O 0.42144 0.10776 0.91008 1.00000
O24 O 0.82376 0.30276 0.91850 1.00000
