Mg4HgRh2
Alexandria ALEXAlex-ID: agm006017797 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_564_spg166
Mg2Rh Mg2HgRh
2023-10-13 19:08:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006017797).
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
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# CIF generated by HEAS from Alexandria entry agm006017797
data_agm006017797
_cell_length_a 4.59205
_cell_length_b 4.59205
_cell_length_c 7.41370
_cell_angle_alpha 71.95886
_cell_angle_beta 71.95885
_cell_angle_gamma 60.00000
_cell_volume 126.43426
_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 0.86313 0.86313 0.41062 1.00000
Mg2 Mg 0.13687 0.13687 0.58938 1.00000
Mg3 Mg 0.59940 0.59940 0.20180 1.00000
Mg4 Mg 0.40060 0.40060 0.79820 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.73447 0.73447 0.79658 1.00000
Rh2 Rh 0.26553 0.26553 0.20342 1.00000
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