V4CuO11
Alexandria ALEXAlex-ID: agm005290382 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C11_32_spg8
V2O5 V2CuO6
2023-05-07 08:40:22.812352
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290382).
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 agm005290382
data_agm005290382
_cell_length_a 7.83567
_cell_length_b 7.83567
_cell_length_c 7.34496
_cell_angle_alpha 75.76581
_cell_angle_beta 75.76581
_cell_angle_gamma 26.66120
_cell_volume 195.78681
_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 0.91378 0.91378 0.13816 1.00000
V2 V 0.47179 0.47179 0.44616 1.00000
V3 V 0.24552 0.24552 0.47055 1.00000
V4 V 0.70397 0.70397 0.13180 1.00000
Cu1 Cu 0.58559 0.58559 0.78177 1.00000
O1 O 0.49102 0.49102 0.66352 1.00000
O2 O 0.57955 0.57955 0.30403 1.00000
O3 O 0.94698 0.94698 0.39013 1.00000
O4 O 0.82715 0.82715 0.01517 1.00000
O5 O 0.32787 0.32787 0.58433 1.00000
O6 O 0.39893 0.39893 0.21302 1.00000
O7 O 0.75255 0.75255 0.38890 1.00000
O8 O 0.14425 0.14425 0.64062 1.00000
O9 O 0.20800 0.20800 0.20380 1.00000
O10 O 0.01026 0.01026 0.97193 1.00000
O11 O 0.66589 0.66589 0.93780 1.00000
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