Ag2HgH7
Alexandria ALEXAlex-ID: agm006200487 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1222_spg1
Ag HgH4 H2
2023-10-15 10:12:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200487).
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
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# CIF generated by HEAS from Alexandria entry agm006200487
data_agm006200487
_cell_length_a 5.90423
_cell_length_b 6.93872
_cell_length_c 3.80564
_cell_angle_alpha 121.35287
_cell_angle_beta 71.89284
_cell_angle_gamma 98.98530
_cell_volume 126.54623
_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
H1 H 0.12174 0.86212 0.17832 1.00000
H2 H 0.82377 0.84871 0.81582 1.00000
H3 H 0.47054 0.29746 0.45395 1.00000
H4 H 0.17721 0.23957 0.06564 1.00000
H5 H 0.47262 0.85186 0.49381 1.00000
H6 H 0.47494 0.42300 0.54757 1.00000
H7 H 0.77156 0.46991 0.92444 1.00000
Hg1 Hg 0.97415 0.35460 0.99512 1.00000
Ag1 Ag 0.16095 0.88806 0.68774 1.00000
Ag2 Ag 0.78491 0.82211 0.30577 1.00000
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