K3Mg7Hg4
Alexandria ALEXAlex-ID: agm005705183 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
Mg2Hg K3Hg K
2023-06-29 16:56:04.315343
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705183).
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 agm005705183
data_agm005705183
_cell_length_a 4.88663
_cell_length_b 9.38420
_cell_length_c 9.72666
_cell_angle_alpha 69.41971
_cell_angle_beta 75.45161
_cell_angle_gamma 74.90829
_cell_volume 396.82824
_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
K1 K 0.30431 0.19177 0.19961 1.00000
K2 K 0.69569 0.80823 0.80039 1.00000
K3 K 0.00000 0.50000 0.50000 1.00000
Mg1 Mg 0.31694 0.84601 0.52011 1.00000
Mg2 Mg 0.49578 0.20717 0.80128 1.00000
Mg3 Mg 0.84686 0.38264 0.92364 1.00000
Mg4 Mg 0.68306 0.15399 0.47989 1.00000
Mg5 Mg 0.15314 0.61736 0.07636 1.00000
Mg6 Mg 0.00000 0.00000 0.00000 1.00000
Mg7 Mg 0.50422 0.79283 0.19872 1.00000
Hg1 Hg 0.66210 0.45904 0.21676 1.00000
Hg2 Hg 0.33790 0.54096 0.78324 1.00000
Hg3 Hg 0.88449 0.90087 0.33015 1.00000
Hg4 Hg 0.11551 0.09913 0.66985 1.00000
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