Na5In2Hg5
Alexandria ALEXAlex-ID: agm005652555 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_60_spg166
NaInHg NaHg
2023-06-19 03:44:09.496522
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652555).
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 agm005652555
data_agm005652555
_cell_length_a 5.17344
_cell_length_b 5.17239
_cell_length_c 14.09783
_cell_angle_alpha 89.74643
_cell_angle_beta 79.42724
_cell_angle_gamma 59.99325
_cell_volume 319.44041
_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 0.61090 0.69514 0.08306 1.00000
Na3 Na 0.44422 0.77969 0.33187 1.00000
Na4 Na 0.55578 0.22031 0.66813 1.00000
Na5 Na 0.38910 0.30486 0.91694 1.00000
In1 In 0.14501 0.92504 0.78494 1.00000
In2 In 0.85499 0.07496 0.21506 1.00000
Hg1 Hg 0.70683 0.14769 0.43866 1.00000
Hg2 Hg 0.80621 0.59442 0.79316 1.00000
Hg3 Hg 0.19379 0.40558 0.20684 1.00000
Hg4 Hg 0.29317 0.85231 0.56134 1.00000
Hg5 Hg 0.00000 0.00000 0.00000 1.00000
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