AcV2BiO8
Alexandria ALEXAlex-ID: agm062432641 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_0_spg164
VBiO4 AcVO4
2024-12-09 08:27:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062432641).
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
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# CIF generated by HEAS from Alexandria entry agm062432641
data_agm062432641
_cell_length_a 4.79705
_cell_length_b 5.26876
_cell_length_c 8.36516
_cell_angle_alpha 89.76652
_cell_angle_beta 90.41047
_cell_angle_gamma 113.17588
_cell_volume 194.35853
_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
Ac1 Ac 0.68365 0.06200 0.36896 1.00000
V1 V 0.36455 0.49639 0.62589 1.00000
V2 V 0.95722 0.72675 0.10876 1.00000
Bi1 Bi 0.65287 0.08259 0.86921 1.00000
O1 O 0.85732 0.36641 0.10880 1.00000
O2 O 0.16092 0.90957 0.94375 1.00000
O3 O 0.12337 0.88505 0.28813 1.00000
O4 O 0.40974 0.84474 0.63267 1.00000
O5 O 0.54781 0.43924 0.79421 1.00000
O6 O 0.98678 0.26687 0.62318 1.00000
O7 O 0.62615 0.78415 0.10856 1.00000
O8 O 0.52693 0.47066 0.44653 1.00000
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