CsV2Hg2O7
Alexandria ALEXAlex-ID: agm004589752 · Space group: R32 (#155)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_6_spg155
V(HgO2)2 CsVO3
2022-06-26 04:15:49.882455
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004589752).
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 agm004589752
data_agm004589752
_cell_length_a 6.26644
_cell_length_b 6.26644
_cell_length_c 9.31615
_cell_angle_alpha 70.34708
_cell_angle_beta 70.34708
_cell_angle_gamma 60.00000
_cell_volume 291.95086
_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
Cs1 Cs 0.50000 0.50000 0.50000 1.00000
V1 V 0.92988 0.92988 0.21037 1.00000
V2 V 0.07012 0.07012 0.78963 1.00000
Hg1 Hg 0.75029 0.75029 0.74913 1.00000
Hg2 Hg 0.24971 0.24971 0.25087 1.00000
O1 O 0.15167 0.93591 0.27910 1.00000
O2 O 0.63332 0.15167 0.27910 1.00000
O3 O 0.93591 0.63332 0.27910 1.00000
O4 O 0.36668 0.06409 0.72090 1.00000
O5 O 0.84833 0.36668 0.72090 1.00000
O6 O 0.00000 0.00000 0.00000 1.00000
O7 O 0.06409 0.84833 0.72090 1.00000
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