Na6MgHg8
Alexandria ALEXAlex-ID: agm072907280 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_0_spg148
Na4Hg7 MgHg NaHg
2024-10-06 19:32:29.045431
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072907280).
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 agm072907280
data_agm072907280
_cell_length_a 8.27360
_cell_length_b 8.27360
_cell_length_c 8.27360
_cell_angle_alpha 63.01931
_cell_angle_beta 63.01931
_cell_angle_gamma 63.01931
_cell_volume 427.30830
_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 0.90506 0.51676 0.24042 1.00000
Na2 Na 0.51676 0.24042 0.90506 1.00000
Na3 Na 0.24042 0.90506 0.51676 1.00000
Na4 Na 0.09494 0.48324 0.75958 1.00000
Na5 Na 0.48324 0.75958 0.09494 1.00000
Na6 Na 0.75958 0.09494 0.48324 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.66701 0.66701 0.66701 1.00000
Hg2 Hg 0.33299 0.33299 0.33299 1.00000
Hg3 Hg 0.25603 0.63841 0.92928 1.00000
Hg4 Hg 0.63841 0.92928 0.25603 1.00000
Hg5 Hg 0.92928 0.25603 0.63841 1.00000
Hg6 Hg 0.74397 0.36159 0.07072 1.00000
Hg7 Hg 0.36159 0.07072 0.74397 1.00000
Hg8 Hg 0.07072 0.74397 0.36159 1.00000
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