Ba(Na2Hg)2
Alexandria ALEXAlex-ID: agm035402003 · Space group: P4_2/mnm (#136)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_3116_spg136
Na8Hg3 Na BaHg
2025-03-16 08:16:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035402003).
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 agm035402003
data_agm035402003
_cell_length_a 9.92438
_cell_length_b 9.92438
_cell_length_c 4.82178
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 474.91279
_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
Ba1 Ba 0.50000 0.50000 0.50000 1.00000
Ba2 Ba 0.00000 0.00000 0.00000 1.00000
Na1 Na 0.40440 0.16157 0.00000 1.00000
Na2 Na 0.59560 0.83843 0.00000 1.00000
Na3 Na 0.33843 0.90440 0.50000 1.00000
Na4 Na 0.66157 0.09560 0.50000 1.00000
Na5 Na 0.09560 0.66157 0.50000 1.00000
Na6 Na 0.90440 0.33843 0.50000 1.00000
Na7 Na 0.16157 0.40440 0.00000 1.00000
Na8 Na 0.83843 0.59560 0.00000 1.00000
Hg1 Hg 0.30780 0.69220 0.00000 1.00000
Hg2 Hg 0.69220 0.30780 0.00000 1.00000
Hg3 Hg 0.80780 0.80780 0.50000 1.00000
Hg4 Hg 0.19220 0.19220 0.50000 1.00000
Get direct link