V2BiHO6
Alexandria ALEXAlex-ID: agm004975720 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1394_spg15
VBiO4 VHO2
2022-07-23 17:57:12.126346
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004975720).
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 agm004975720
data_agm004975720
_cell_length_a 6.19493
_cell_length_b 7.10076
_cell_length_c 7.10076
_cell_angle_alpha 109.11971
_cell_angle_beta 76.68367
_cell_angle_gamma 76.68367
_cell_volume 270.84136
_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 0.31760 0.71366 0.53744 1.00000
V2 V 0.18240 0.46256 0.28634 1.00000
V3 V 0.68240 0.28634 0.46256 1.00000
V4 V 0.81760 0.53744 0.71366 1.00000
Bi1 Bi 0.25000 0.89612 0.10388 1.00000
Bi2 Bi 0.75000 0.10388 0.89612 1.00000
H1 H 0.25000 0.09986 0.90014 1.00000
H2 H 0.75000 0.90014 0.09986 1.00000
O1 O 0.17386 0.95936 0.81543 1.00000
O2 O 0.32614 0.18457 0.04064 1.00000
O3 O 0.82614 0.04064 0.18457 1.00000
O4 O 0.67386 0.81543 0.95936 1.00000
O5 O 0.37352 0.85513 0.39528 1.00000
O6 O 0.12648 0.60472 0.14487 1.00000
O7 O 0.62648 0.14487 0.60472 1.00000
O8 O 0.87352 0.39528 0.85513 1.00000
O9 O 0.01676 0.67852 0.58206 1.00000
O10 O 0.48324 0.41794 0.32148 1.00000
O11 O 0.98324 0.32148 0.41794 1.00000
O12 O 0.51676 0.58206 0.67852 1.00000
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