Ba2Al4AgHg3
Alexandria ALEXAlex-ID: agm004530756 · Space group: P-4m2 (#115)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D4_7_spg115
Ba2(AlAg)5 BaAl4 BaHg3 Al
2022-06-21 01:15:49.335295
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004530756).
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 agm004530756
data_agm004530756
_cell_length_a 4.70498
_cell_length_b 4.70498
_cell_length_c 11.40494
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 252.46954
_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 0.50000 0.00000 0.25192 1.00000
Ba2 Ba 0.00000 0.50000 0.74808 1.00000
Al1 Al 0.50000 0.50000 0.00000 1.00000
Al2 Al 0.00000 0.00000 0.00000 1.00000
Al3 Al 0.50000 0.00000 0.62322 1.00000
Al4 Al 0.00000 0.50000 0.37678 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
Hg1 Hg 0.00000 0.00000 0.50000 1.00000
Hg2 Hg 0.50000 0.00000 0.86658 1.00000
Hg3 Hg 0.00000 0.50000 0.13342 1.00000
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