V3Pb2O9
Alexandria ALEXAlex-ID: agm005607236 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_29_spg12
V2Pb2O7 VO2
2023-06-14 11:36:27.975359
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607236).
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 agm005607236
data_agm005607236
_cell_length_a 7.77696
_cell_length_b 8.18890
_cell_length_c 8.18890
_cell_angle_alpha 117.73029
_cell_angle_beta 103.26735
_cell_angle_gamma 103.26735
_cell_volume 413.64996
_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 0.35443 0.18221 0.18221 1.00000
V2 V 0.64557 0.81779 0.81779 1.00000
V3 V 0.69881 0.05162 0.27342 1.00000
V4 V 0.30119 0.72658 0.94838 1.00000
V5 V 0.30119 0.94838 0.72658 1.00000
V6 V 0.69881 0.27342 0.05162 1.00000
Pb1 Pb 0.22357 0.59563 0.26684 1.00000
Pb2 Pb 0.77643 0.73316 0.40437 1.00000
Pb3 Pb 0.77643 0.40437 0.73316 1.00000
Pb4 Pb 0.22357 0.26684 0.59563 1.00000
O1 O 0.50000 0.19188 0.80812 1.00000
O2 O 0.14349 0.49438 0.88492 1.00000
O3 O 0.14349 0.88492 0.49438 1.00000
O4 O 0.85651 0.50562 0.11508 1.00000
O5 O 0.76566 0.68932 0.68932 1.00000
O6 O 0.23434 0.31068 0.31068 1.00000
O7 O 0.53574 0.38230 0.19049 1.00000
O8 O 0.46426 0.80951 0.61770 1.00000
O9 O 0.46426 0.61770 0.80951 1.00000
O10 O 0.53574 0.19049 0.38230 1.00000
O11 O 0.18576 0.72246 0.72246 1.00000
O12 O 0.77997 0.90679 0.08919 1.00000
O13 O 0.77997 0.08919 0.90679 1.00000
O14 O 0.22003 0.09321 0.91081 1.00000
O15 O 0.22003 0.91081 0.09321 1.00000
O16 O 0.50000 0.80812 0.19188 1.00000
O17 O 0.81424 0.27754 0.27754 1.00000
O18 O 0.85651 0.11508 0.50562 1.00000
