BaMg2ZnHg5
Alexandria ALEXAlex-ID: agm005178557 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_208_spg71
Ba4Zn51 BaHg4 BaHg3 MgHg
2023-01-16 04:24:01.700658
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005178557).
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 agm005178557
data_agm005178557
_cell_length_a 5.09267
_cell_length_b 6.84207
_cell_length_c 8.37725
_cell_angle_alpha 114.10261
_cell_angle_beta 107.69550
_cell_angle_gamma 90.00000
_cell_volume 251.24507
_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 0.00000 0.50000 0.00000 1.00000
Mg1 Mg 0.19206 0.19206 0.38412 1.00000
Mg2 Mg 0.80794 0.80794 0.61588 1.00000
Zn1 Zn 0.50000 0.00000 0.00000 1.00000
Hg1 Hg 0.65703 0.90986 0.31407 1.00000
Hg2 Hg 0.34297 0.09014 0.68593 1.00000
Hg3 Hg 0.34297 0.59579 0.68593 1.00000
Hg4 Hg 0.65703 0.40421 0.31407 1.00000
Hg5 Hg 0.00000 0.00000 0.00000 1.00000
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