LiV3Cu(SO4)6
Alexandria ALEXAlex-ID: agm010691034 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D6E24_4_spg1
V2(SO4)3 Li2SO4 CuSO4
2024-12-05 12:46:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010691034).
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 agm010691034
data_agm010691034
_cell_length_a 8.29638
_cell_length_b 8.45649
_cell_length_c 9.00586
_cell_angle_alpha 61.41199
_cell_angle_beta 63.38120
_cell_angle_gamma 61.04375
_cell_volume 465.79725
_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 0.83415 0.58087 0.35438 1.00000
V1 V 0.63967 0.65122 0.06189 1.00000
V2 V 0.35530 0.35225 0.93471 1.00000
V3 V 0.15402 0.14592 0.55310 1.00000
Cu1 Cu 0.83129 0.86055 0.46752 1.00000
S1 S 0.26397 0.52361 0.24608 1.00000
S2 S 0.03295 0.75014 0.75059 1.00000
S3 S 0.45292 0.04838 0.75672 1.00000
S4 S 0.53860 0.95945 0.25596 1.00000
S5 S 0.95633 0.25290 0.25302 1.00000
S6 S 0.75600 0.45948 0.74036 1.00000
O1 O 0.47895 0.89571 0.92924 1.00000
O2 O 0.71702 0.50775 0.89199 1.00000
O3 O 0.06336 0.65086 0.27334 1.00000
O4 O 0.29074 0.33772 0.39587 1.00000
O5 O 0.00852 0.71785 0.61510 1.00000
O6 O 0.32525 0.01183 0.71021 1.00000
O7 O 0.88219 0.71444 0.92291 1.00000
O8 O 0.38909 0.61279 0.23196 1.00000
O9 O 0.01900 0.95059 0.69613 1.00000
O10 O 0.35065 0.23573 0.78718 1.00000
O11 O 0.22406 0.61615 0.77648 1.00000
O12 O 0.63528 0.04574 0.62129 1.00000
O13 O 0.35083 0.97807 0.39390 1.00000
O14 O 0.76550 0.39346 0.22796 1.00000
O15 O 0.62007 0.76222 0.24308 1.00000
O16 O 0.97181 0.05500 0.30777 1.00000
O17 O 0.61552 0.38015 0.76894 1.00000
O18 O 0.10613 0.29841 0.08717 1.00000
O19 O 0.67841 0.98443 0.29521 1.00000
O20 O 0.97584 0.29196 0.39151 1.00000
O21 O 0.73715 0.63613 0.57771 1.00000
O22 O 0.95302 0.31827 0.70644 1.00000
O23 O 0.33576 0.48226 0.08012 1.00000
O24 O 0.51454 0.10060 0.08153 1.00000
