Na3(Ga2Hg)2
Alexandria ALEXAlex-ID: agm005674060 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_272_spg12
Na4Hg7 Na7Ga13 NaGa4
2023-06-27 11:00:02.410289
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674060).
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 agm005674060
data_agm005674060
_cell_length_a 4.69398
_cell_length_b 5.87084
_cell_length_c 8.50876
_cell_angle_alpha 74.06673
_cell_angle_beta 73.98840
_cell_angle_gamma 66.43618
_cell_volume 202.96928
_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 0.30553 0.74810 0.64085 1.00000
Na2 Na 0.00000 0.00000 0.00000 1.00000
Na3 Na 0.69447 0.25190 0.35915 1.00000
Ga1 Ga 0.25650 0.41337 0.07364 1.00000
Ga2 Ga 0.74350 0.58663 0.92636 1.00000
Ga3 Ga 0.99305 0.36630 0.64761 1.00000
Ga4 Ga 0.00695 0.63370 0.35239 1.00000
Hg1 Hg 0.42611 0.89860 0.24919 1.00000
Hg2 Hg 0.57389 0.10140 0.75081 1.00000
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