Na6Hg8Rh
Alexandria ALEXAlex-ID: agm072885337 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_45_spg148
Na4Hg7 NaHg Rh
2024-10-06 19:36:08.564598
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072885337).
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 agm072885337
data_agm072885337
_cell_length_a 7.71017
_cell_length_b 7.71017
_cell_length_c 7.71017
_cell_angle_alpha 69.77322
_cell_angle_beta 69.77322
_cell_angle_gamma 69.77322
_cell_volume 390.01103
_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
Na1 Na 0.84599 0.57251 0.36058 1.00000
Na2 Na 0.57251 0.36058 0.84599 1.00000
Na3 Na 0.36058 0.84599 0.57251 1.00000
Na4 Na 0.15401 0.42749 0.63942 1.00000
Na5 Na 0.42749 0.63942 0.15401 1.00000
Na6 Na 0.63942 0.15401 0.42749 1.00000
Hg1 Hg 0.73831 0.73831 0.73831 1.00000
Hg2 Hg 0.26169 0.26169 0.26169 1.00000
Hg3 Hg 0.12321 0.63945 0.94557 1.00000
Hg4 Hg 0.63945 0.94557 0.12321 1.00000
Hg5 Hg 0.94557 0.12321 0.63945 1.00000
Hg6 Hg 0.87679 0.36055 0.05443 1.00000
Hg7 Hg 0.36055 0.05443 0.87679 1.00000
Hg8 Hg 0.05443 0.87679 0.36055 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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