Li2V3Cd(SO4)6
Alexandria ALEXAlex-ID: agm010948638 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_1_spg1
V3O5 V2(SO4)3 Li2SO4 CdSO4 CdS
2025-01-04 15:49:34.142946
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010948638).
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 agm010948638
data_agm010948638
_cell_length_a 8.53292
_cell_length_b 8.53232
_cell_length_c 9.16735
_cell_angle_alpha 62.66164
_cell_angle_beta 62.33391
_cell_angle_gamma 60.43263
_cell_volume 490.66808
_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 0.24232 0.81795 0.36904 1.00000
Li2 Li 0.57181 0.23487 0.37169 1.00000
V1 V 0.84259 0.83885 0.46777 1.00000
V2 V 0.35360 0.36035 0.93374 1.00000
V3 V 0.14730 0.15268 0.54793 1.00000
Cd1 Cd 0.65072 0.63837 0.05269 1.00000
S1 S 0.53152 0.96929 0.25262 1.00000
S2 S 0.74300 0.44626 0.75829 1.00000
S3 S 0.05888 0.74986 0.74384 1.00000
S4 S 0.97199 0.23532 0.25268 1.00000
S5 S 0.23787 0.53734 0.25555 1.00000
S6 S 0.44603 0.06219 0.74502 1.00000
O1 O 0.64843 0.00168 0.30823 1.00000
O2 O 0.34004 0.97852 0.39201 1.00000
O3 O 0.70258 0.64429 0.64810 1.00000
O4 O 0.03466 0.94949 0.70165 1.00000
O5 O 0.29107 0.51751 0.08486 1.00000
O6 O 0.61757 0.78063 0.23326 1.00000
O7 O 0.94178 0.32954 0.68408 1.00000
O8 O 0.24615 0.62152 0.77200 1.00000
O9 O 0.90703 0.70824 0.89925 1.00000
O10 O 0.47385 0.91318 0.90421 1.00000
O11 O 0.60856 0.37464 0.76656 1.00000
O12 O 0.05709 0.72592 0.59219 1.00000
O13 O 0.99042 0.27096 0.38762 1.00000
O14 O 0.35565 0.62885 0.24492 1.00000
O15 O 0.49827 0.11961 0.09202 1.00000
O16 O 0.10453 0.30030 0.08271 1.00000
O17 O 0.77366 0.34343 0.24844 1.00000
O18 O 0.03661 0.64630 0.31415 1.00000
O19 O 0.36341 0.25210 0.76863 1.00000
O20 O 0.71869 0.42632 0.93529 1.00000
O21 O 0.01305 0.03036 0.29438 1.00000
O22 O 0.29206 0.34195 0.38326 1.00000
O23 O 0.62687 0.05342 0.59737 1.00000
O24 O 0.31402 0.04343 0.69477 1.00000
