VHgO4
Alexandria ALEXAlex-ID: agm003738596 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1984_spg15
V2Hg2O7 V2HgO6 HgO5
2022-04-18 21:01:08.969370
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003738596).
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 agm003738596
data_agm003738596
_cell_length_a 4.91734
_cell_length_b 5.19597
_cell_length_c 7.38997
_cell_angle_alpha 108.50143
_cell_angle_beta 107.24971
_cell_angle_gamma 95.90482
_cell_volume 166.91041
_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 0.82931 0.07931 0.15862 1.00000
V2 V 0.17069 0.92069 0.84138 1.00000
Hg1 Hg 0.38582 0.63582 0.27164 1.00000
Hg2 Hg 0.61418 0.36418 0.72836 1.00000
O1 O 0.25920 0.05276 0.66960 1.00000
O2 O 0.07705 0.84906 0.08442 1.00000
O3 O 0.08960 0.38316 0.33040 1.00000
O4 O 0.49263 0.76464 0.91558 1.00000
O5 O 0.74080 0.94724 0.33040 1.00000
O6 O 0.91040 0.61684 0.66960 1.00000
O7 O 0.92295 0.15094 0.91558 1.00000
O8 O 0.50737 0.23536 0.08442 1.00000
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