V2CdBiO6
Alexandria ALEXAlex-ID: agm004975321 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1741_spg15
VCdBiO5 V3(Bi3O8)2 V2CdO4 Bi2O3
2023-01-15 07:43:04.371698
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004975321).
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 agm004975321
data_agm004975321
_cell_length_a 6.20477
_cell_length_b 7.54787
_cell_length_c 7.54787
_cell_angle_alpha 80.54555
_cell_angle_beta 73.44816
_cell_angle_gamma 73.44816
_cell_volume 323.46835
_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 0.27425 0.79171 0.61653 1.00000
V2 V 0.22575 0.38347 0.20829 1.00000
V3 V 0.72575 0.20829 0.38347 1.00000
V4 V 0.77425 0.61653 0.79171 1.00000
Cd1 Cd 0.25000 0.28967 0.71033 1.00000
Cd2 Cd 0.75000 0.71033 0.28967 1.00000
Bi1 Bi 0.25000 0.89363 0.10637 1.00000
Bi2 Bi 0.75000 0.10637 0.89363 1.00000
O1 O 0.14865 0.99549 0.75084 1.00000
O2 O 0.35135 0.24916 0.00451 1.00000
O3 O 0.85135 0.00451 0.24916 1.00000
O4 O 0.64865 0.75084 0.99549 1.00000
O5 O 0.36211 0.85406 0.35836 1.00000
O6 O 0.13789 0.64164 0.14594 1.00000
O7 O 0.63789 0.14594 0.64164 1.00000
O8 O 0.86211 0.35836 0.85406 1.00000
O9 O 0.08902 0.62517 0.67706 1.00000
O10 O 0.41098 0.32294 0.37483 1.00000
O11 O 0.91098 0.37483 0.32294 1.00000
O12 O 0.58902 0.67706 0.62517 1.00000
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