V2HgO6
Alexandria ALEXAlex-ID: agm005658650 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3072_spg15
V2HgO6
2023-07-09 04:01:31.576173
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658650).
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 agm005658650
data_agm005658650
_cell_length_a 3.63931
_cell_length_b 9.03156
_cell_length_c 9.03156
_cell_angle_alpha 116.52457
_cell_angle_beta 99.53948
_cell_angle_gamma 99.53947
_cell_volume 252.08255
_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 0.38866 0.49084 0.23849 1.00000
V2 V 0.11134 0.76151 0.50916 1.00000
V3 V 0.61134 0.50916 0.76151 1.00000
V4 V 0.88866 0.23849 0.49084 1.00000
Hg1 Hg 0.25000 0.88765 0.11235 1.00000
Hg2 Hg 0.75000 0.11235 0.88765 1.00000
O1 O 0.42600 0.31500 0.50741 1.00000
O2 O 0.07400 0.49259 0.68500 1.00000
O3 O 0.57400 0.68500 0.49259 1.00000
O4 O 0.92600 0.50741 0.31500 1.00000
O5 O 0.87536 0.13697 0.60014 1.00000
O6 O 0.62464 0.39986 0.86303 1.00000
O7 O 0.12464 0.86303 0.39986 1.00000
O8 O 0.37536 0.60014 0.13697 1.00000
O9 O 0.24043 0.26873 0.08497 1.00000
O10 O 0.25957 0.91503 0.73127 1.00000
O11 O 0.75957 0.73127 0.91503 1.00000
O12 O 0.74043 0.08497 0.26873 1.00000
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