Ba2Al(Hg2Sb)2
Alexandria ALEXAlex-ID: agm004568645 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_166_spg139
Ba3AlSb3 Hg Al
2022-06-19 09:57:13.538748
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004568645).
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 agm004568645
data_agm004568645
_cell_length_a 7.34843
_cell_length_b 7.34843
_cell_length_c 7.34843
_cell_angle_alpha 87.38639
_cell_angle_beta 121.52027
_cell_angle_gamma 121.52027
_cell_volume 273.83082
_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 0.75000 0.25000 1.00000
Ba2 Ba 0.50000 0.25000 0.75000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.00000 0.72289 0.27711 1.00000
Hg2 Hg 0.44578 0.72289 0.72289 1.00000
Hg3 Hg 0.00000 0.27711 0.72289 1.00000
Hg4 Hg 0.55422 0.27711 0.27711 1.00000
Sb1 Sb 0.00000 0.73754 0.73754 1.00000
Sb2 Sb 1.00000 0.26246 0.26246 1.00000
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