NaV3Zn(SO4)6
Alexandria ALEXAlex-ID: agm010328282 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D6E24_6_spg1
V2(SO4)3 NaV(SO4)2 ZnSO4
2024-12-22 21:55:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010328282).
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 agm010328282
data_agm010328282
_cell_length_a 9.00828
_cell_length_b 9.00828
_cell_length_c 9.00828
_cell_angle_alpha 55.96286
_cell_angle_beta 55.96286
_cell_angle_gamma 55.96286
_cell_volume 468.55144
_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
Na1 Na 0.51044 0.51044 0.51044 1.00000
V1 V 0.36285 0.36285 0.36285 1.00000
V2 V 0.65756 0.65756 0.65756 1.00000
V3 V 0.86136 0.86136 0.86136 1.00000
Zn1 Zn 0.15841 0.15841 0.15841 1.00000
S1 S 0.26333 0.96647 0.54711 1.00000
S2 S 0.96647 0.54711 0.26333 1.00000
S3 S 0.47546 0.75648 0.05065 1.00000
S4 S 0.05065 0.47546 0.75648 1.00000
S5 S 0.75648 0.05065 0.47546 1.00000
S6 S 0.54711 0.26333 0.96647 1.00000
O1 O 0.11767 0.52319 0.30502 1.00000
O2 O 0.52319 0.30502 0.11767 1.00000
O3 O 0.33663 0.95177 0.02922 1.00000
O4 O 0.66295 0.73281 0.03133 1.00000
O5 O 0.98355 0.68800 0.06493 1.00000
O6 O 0.28905 0.97853 0.36503 1.00000
O7 O 0.30502 0.11767 0.52319 1.00000
O8 O 0.40548 0.61659 0.24506 1.00000
O9 O 0.06493 0.98355 0.68800 1.00000
O10 O 0.77332 0.62676 0.40071 1.00000
O11 O 0.40071 0.77332 0.62676 1.00000
O12 O 0.97853 0.36503 0.28905 1.00000
O13 O 0.03133 0.66295 0.73281 1.00000
O14 O 0.61659 0.24506 0.40548 1.00000
O15 O 0.24506 0.40548 0.61659 1.00000
O16 O 0.95177 0.02922 0.33663 1.00000
O17 O 0.62676 0.40071 0.77332 1.00000
O18 O 0.70071 0.90549 0.50606 1.00000
O19 O 0.73281 0.03133 0.66295 1.00000
O20 O 0.02922 0.33663 0.95177 1.00000
O21 O 0.36503 0.28905 0.97853 1.00000
O22 O 0.68800 0.06493 0.98355 1.00000
O23 O 0.50606 0.70071 0.90549 1.00000
O24 O 0.90549 0.50606 0.70071 1.00000
