Mg4ZnHg7
Alexandria ALEXAlex-ID: agm006089283 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_182_spg2
Hg Zn MgHg
2023-08-14 08:23:39.456578
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089283).
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 agm006089283
data_agm006089283
_cell_length_a 6.16306
_cell_length_b 10.80083
_cell_length_c 8.43557
_cell_angle_alpha 56.24147
_cell_angle_beta 56.03404
_cell_angle_gamma 35.75108
_cell_volume 265.96894
_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
Mg1 Mg 0.54581 0.67576 0.33119 1.00000
Mg2 Mg 0.45419 0.32424 0.66881 1.00000
Mg3 Mg 0.74208 0.84264 0.68947 1.00000
Mg4 Mg 0.25792 0.15736 0.31053 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.72951 0.52078 0.99245 1.00000
Hg2 Hg 0.27049 0.47922 0.00755 1.00000
Hg3 Hg 0.96818 0.31357 0.64695 1.00000
Hg4 Hg 0.03182 0.68643 0.35305 1.00000
Hg5 Hg 0.25120 0.84684 0.66706 1.00000
Hg6 Hg 0.50000 0.00000 0.00000 1.00000
Hg7 Hg 0.74880 0.15316 0.33294 1.00000
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