Na5Mg2Hg5
Alexandria ALEXAlex-ID: agm005654722 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_134_spg12
Mg2Hg Na3Hg2 NaHg
2023-06-19 03:31:51.126063
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654722).
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 agm005654722
data_agm005654722
_cell_length_a 5.17981
_cell_length_b 5.15653
_cell_length_c 13.78624
_cell_angle_alpha 90.24988
_cell_angle_beta 79.17198
_cell_angle_gamma 59.85051
_cell_volume 310.62498
_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 0.00000 0.50000 0.50000 1.00000
Na2 Na 0.61436 0.69512 0.07617 1.00000
Na3 Na 0.44136 0.78418 0.33310 1.00000
Na4 Na 0.55864 0.21582 0.66690 1.00000
Na5 Na 0.38564 0.30488 0.92383 1.00000
Mg1 Mg 0.14317 0.92349 0.79017 1.00000
Mg2 Mg 0.85683 0.07651 0.20983 1.00000
Hg1 Hg 0.71394 0.14683 0.42528 1.00000
Hg2 Hg 0.81086 0.59159 0.78668 1.00000
Hg3 Hg 0.18914 0.40841 0.21332 1.00000
Hg4 Hg 0.28606 0.85317 0.57472 1.00000
Hg5 Hg 0.00000 0.00000 0.00000 1.00000
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