Ag2HgP2O7
Alexandria ALEXAlex-ID: agm004589412 · Space group: R32 (#155)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_68_spg8
AgPO3 Ag3PO4 Hg2P2O7
2022-06-26 02:53:54.242279
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004589412).
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 agm004589412
data_agm004589412
_cell_length_a 5.59535
_cell_length_b 5.59535
_cell_length_c 7.67117
_cell_angle_alpha 68.61087
_cell_angle_beta 68.61087
_cell_angle_gamma 60.00000
_cell_volume 188.64988
_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
Ag1 Ag 0.75193 0.75193 0.74422 1.00000
Ag2 Ag 0.24807 0.24807 0.25578 1.00000
Hg1 Hg 0.50000 0.50000 0.50000 1.00000
P1 P 0.92349 0.92349 0.22953 1.00000
P2 P 0.07651 0.07651 0.77047 1.00000
O1 O 0.18936 0.85526 0.28930 1.00000
O2 O 0.66609 0.18936 0.28930 1.00000
O3 O 0.85526 0.66609 0.28930 1.00000
O4 O 0.33391 0.14474 0.71070 1.00000
O5 O 0.81064 0.33391 0.71070 1.00000
O6 O 0.00000 0.00000 0.00000 1.00000
O7 O 0.14474 0.81064 0.71070 1.00000
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