V2NiPbO6
Alexandria ALEXAlex-ID: agm004976005 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_374_spg15
VO2 V2Pb2O7 V2Ni3O8 Ni
2023-01-15 06:02:53.449657
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004976005).
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 agm004976005
data_agm004976005
_cell_length_a 5.99822
_cell_length_b 7.69242
_cell_length_c 7.69242
_cell_angle_alpha 81.68351
_cell_angle_beta 72.69669
_cell_angle_gamma 72.69669
_cell_volume 322.92092
_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 0.29312 0.81076 0.60765 1.00000
V2 V 0.20688 0.39235 0.18924 1.00000
V3 V 0.70688 0.18924 0.39235 1.00000
V4 V 0.79312 0.60765 0.81076 1.00000
Ni1 Ni 0.25000 0.24007 0.75993 1.00000
Ni2 Ni 0.75000 0.75993 0.24007 1.00000
Pb1 Pb 0.25000 0.88176 0.11824 1.00000
Pb2 Pb 0.75000 0.11824 0.88176 1.00000
O1 O 0.16908 0.03621 0.68386 1.00000
O2 O 0.33092 0.31614 0.96379 1.00000
O3 O 0.83092 0.96379 0.31614 1.00000
O4 O 0.66908 0.68386 0.03621 1.00000
O5 O 0.40841 0.83315 0.35879 1.00000
O6 O 0.09159 0.64121 0.16685 1.00000
O7 O 0.59159 0.16685 0.64121 1.00000
O8 O 0.90841 0.35879 0.83315 1.00000
O9 O 0.06809 0.68492 0.68273 1.00000
O10 O 0.43191 0.31727 0.31508 1.00000
O11 O 0.93191 0.31508 0.31727 1.00000
O12 O 0.56809 0.68273 0.68492 1.00000
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