V2ZnPbO6
Alexandria ALEXAlex-ID: agm004976337 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_531_spg15
V2ZnO4 V2Pb2O7 ZnO
2022-07-31 13:48:19.933546
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004976337).
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 agm004976337
data_agm004976337
_cell_length_a 6.35549
_cell_length_b 7.36113
_cell_length_c 7.36113
_cell_angle_alpha 103.21750
_cell_angle_beta 74.91687
_cell_angle_gamma 74.91687
_cell_volume 304.40680
_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
V1 V 0.34123 0.71069 0.55186 1.00000
V2 V 0.15877 0.44814 0.28931 1.00000
V3 V 0.65877 0.28931 0.44814 1.00000
V4 V 0.84123 0.55186 0.71069 1.00000
Zn1 Zn 0.25000 0.19452 0.80548 1.00000
Zn2 Zn 0.75000 0.80548 0.19452 1.00000
Pb1 Pb 0.25000 0.91048 0.08952 1.00000
Pb2 Pb 0.75000 0.08952 0.91048 1.00000
O1 O 0.19185 0.93653 0.79132 1.00000
O2 O 0.30815 0.20868 0.06347 1.00000
O3 O 0.80815 0.06347 0.20868 1.00000
O4 O 0.69185 0.79132 0.93653 1.00000
O5 O 0.46168 0.81584 0.38371 1.00000
O6 O 0.03832 0.61629 0.18416 1.00000
O7 O 0.53832 0.18416 0.61629 1.00000
O8 O 0.96168 0.38371 0.81584 1.00000
O9 O 0.05001 0.65760 0.56883 1.00000
O10 O 0.44999 0.43117 0.34240 1.00000
O11 O 0.94999 0.34240 0.43117 1.00000
O12 O 0.55001 0.56883 0.65760 1.00000
Get direct link