PuV2HgO8
Alexandria ALEXAlex-ID: agm004875458 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_930_spg12
Pu2V2O11 PuV2O7 Pu2O5 VHgO3
2023-01-07 04:05:19.075988
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875458).
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 agm004875458
data_agm004875458
_cell_length_a 5.51342
_cell_length_b 5.51342
_cell_length_c 8.00864
_cell_angle_alpha 98.04709
_cell_angle_beta 98.04709
_cell_angle_gamma 65.37563
_cell_volume 218.22328
_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
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
V1 V 0.67074 0.67074 0.22074 1.00000
V2 V 0.32926 0.32926 0.77926 1.00000
Hg1 Hg 0.00000 0.00000 0.50000 1.00000
O1 O 0.68207 0.19731 0.80305 1.00000
O2 O 0.77716 0.77716 0.06544 1.00000
O3 O 0.78062 0.78062 0.42060 1.00000
O4 O 0.21938 0.21938 0.57940 1.00000
O5 O 0.22284 0.22284 0.93456 1.00000
O6 O 0.19731 0.68207 0.80305 1.00000
O7 O 0.80269 0.31793 0.19695 1.00000
O8 O 0.31793 0.80269 0.19695 1.00000
Get direct link