LiV3Co(SO4)6
Alexandria ALEXAlex-ID: agm010318776 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D6E24_4_spg1
Li2Co(SO4)2 V2(SO4)3 CoSO4
2025-01-31 22:50:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010318776).
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 agm010318776
data_agm010318776
_cell_length_a 8.39039
_cell_length_b 8.42344
_cell_length_c 9.00775
_cell_angle_alpha 62.10028
_cell_angle_beta 62.31950
_cell_angle_gamma 60.49092
_cell_volume 466.42451
_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 0.76640 0.41629 0.64279 1.00000
V1 V 0.35320 0.34680 0.94104 1.00000
V2 V 0.64239 0.64859 0.06505 1.00000
V3 V 0.85256 0.85309 0.44627 1.00000
Co1 Co 0.15856 0.14713 0.54476 1.00000
S1 S 0.53715 0.25306 0.24921 1.00000
S2 S 0.25286 0.95809 0.24900 1.00000
S3 S 0.03928 0.47001 0.74620 1.00000
S4 S 0.75137 0.03646 0.74875 1.00000
S5 S 0.46559 0.74323 0.75078 1.00000
S6 S 0.95272 0.54261 0.25564 1.00000
O1 O 0.29891 0.10485 0.07387 1.00000
O2 O 0.11008 0.49455 0.09993 1.00000
O3 O 0.00818 0.33592 0.70733 1.00000
O4 O 0.02859 0.65438 0.59882 1.00000
O5 O 0.04805 0.98606 0.29383 1.00000
O6 O 0.34769 0.28972 0.38264 1.00000
O7 O 0.52172 0.28502 0.07696 1.00000
O8 O 0.23169 0.38534 0.76865 1.00000
O9 O 0.66804 0.05187 0.30308 1.00000
O10 O 0.37887 0.76593 0.22709 1.00000
O11 O 0.62335 0.38628 0.22028 1.00000
O12 O 0.28613 0.97904 0.38383 1.00000
O13 O 0.71804 0.01239 0.61308 1.00000
O14 O 0.39315 0.60125 0.77331 1.00000
O15 O 0.62160 0.23571 0.76095 1.00000
O16 O 0.34036 0.94025 0.69588 1.00000
O17 O 0.76348 0.62529 0.22679 1.00000
O18 O 0.48789 0.70192 0.92040 1.00000
O19 O 0.66247 0.70190 0.61374 1.00000
O20 O 0.95086 0.01591 0.70364 1.00000
O21 O 0.95035 0.36946 0.41448 1.00000
O22 O 0.97747 0.68575 0.28803 1.00000
O23 O 0.88995 0.50648 0.91111 1.00000
O24 O 0.69440 0.89829 0.92321 1.00000
