Ba2VPbO5
Alexandria ALEXAlex-ID: agm005151108 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_221_spg36
Ba3PbO4 BaPb3O4 Ba3V2O8 Pb
2023-01-17 17:16:03.221499
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005151108).
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 agm005151108
data_agm005151108
_cell_length_a 3.40047
_cell_length_b 8.45343
_cell_length_c 10.61101
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 101.60301
_cell_volume 298.78676
_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
Ba1 Ba 0.86662 0.73324 0.78811 1.00000
Ba2 Ba 0.13082 0.26164 0.72562 1.00000
Ba3 Ba 0.13338 0.26676 0.28811 1.00000
Ba4 Ba 0.86918 0.73836 0.22562 1.00000
V1 V 0.77266 0.54532 0.50511 1.00000
V2 V 0.22734 0.45468 0.00511 1.00000
Pb1 Pb 0.51930 0.03859 0.99971 1.00000
Pb2 Pb 0.48070 0.96141 0.49971 1.00000
O1 O 0.33520 0.67039 0.00282 1.00000
O2 O 0.71795 0.43591 0.88173 1.00000
O3 O 0.50328 0.00657 0.79289 1.00000
O4 O 0.28243 0.56486 0.62710 1.00000
O5 O 0.89199 0.78397 0.50089 1.00000
O6 O 0.66480 0.32961 0.50282 1.00000
O7 O 0.28205 0.56409 0.38173 1.00000
O8 O 0.49672 0.99343 0.29289 1.00000
O9 O 0.71757 0.43514 0.12710 1.00000
O10 O 0.10801 0.21603 0.00089 1.00000
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