Ba6AgHg2
Alexandria ALEXAlex-ID: agm005644624 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_680_spg12
Ba3Ag2 Ba2Hg Ba
2023-07-06 10:11:50.199690
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644624).
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 agm005644624
data_agm005644624
_cell_length_a 5.99195
_cell_length_b 8.15820
_cell_length_c 9.47021
_cell_angle_alpha 83.25575
_cell_angle_beta 71.55720
_cell_angle_gamma 68.45481
_cell_volume 408.47587
_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
Ba1 Ba 0.96500 0.23880 0.83121 1.00000
Ba2 Ba 0.29596 0.23869 0.16939 1.00000
Ba3 Ba 0.70404 0.76131 0.83061 1.00000
Ba4 Ba 0.37089 0.75855 0.49967 1.00000
Ba5 Ba 0.62911 0.24145 0.50033 1.00000
Ba6 Ba 0.03500 0.76120 0.16879 1.00000
Ag1 Ag 0.00000 0.50000 0.50000 1.00000
Hg1 Hg 0.33132 0.49998 0.83738 1.00000
Hg2 Hg 0.66868 0.50002 0.16262 1.00000
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