Na(In3Hg)2
Alexandria ALEXAlex-ID: agm097399557 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3260_spg1
NaInHg2 In
2025-04-07 02:48:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097399557).
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 agm097399557
data_agm097399557
_cell_length_a 4.87960
_cell_length_b 5.41438
_cell_length_c 10.00279
_cell_angle_alpha 106.83419
_cell_angle_beta 89.99043
_cell_angle_gamma 90.00459
_cell_volume 252.94846
_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 0.50025 0.28288 0.09128 1.00000
In1 In 0.49987 0.68887 0.90926 1.00000
In2 In 0.50002 0.47998 0.51396 1.00000
In3 In 0.00010 0.44722 0.31757 1.00000
In4 In 0.99993 0.68363 0.71680 1.00000
In5 In 0.50000 0.88796 0.31995 1.00000
In6 In 0.49992 0.11641 0.73653 1.00000
Hg1 Hg 0.99994 0.84593 0.10909 1.00000
Hg2 Hg 0.99997 0.06712 0.53556 1.00000
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