Cs3(NaHg)4
Alexandria ALEXAlex-ID: agm005697035 · Space group: I-43m (#217)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_2_spg217
Na3Hg2 Cs2Na3Hg2 CsHg
2023-06-29 21:05:12.575015
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697035).
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 agm005697035
data_agm005697035
_cell_length_a 8.56112
_cell_length_b 8.56112
_cell_length_c 8.56113
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47123
_cell_angle_gamma 109.47121
_cell_volume 483.02609
_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
Cs1 Cs 0.50000 0.50000 0.00000 1.00000
Cs2 Cs 0.50000 0.00000 0.50000 1.00000
Cs3 Cs 0.00000 0.50000 0.50000 1.00000
Na1 Na 1.00000 0.26052 0.00000 1.00000
Na2 Na 1.00000 1.00000 0.26052 1.00000
Na3 Na 0.26052 1.00000 0.00000 1.00000
Na4 Na 0.73948 0.73948 0.73948 1.00000
Hg1 Hg 0.00000 0.62694 1.00000 1.00000
Hg2 Hg 0.62694 0.00000 1.00000 1.00000
Hg3 Hg 0.00000 0.00000 0.62694 1.00000
Hg4 Hg 0.37306 0.37306 0.37306 1.00000
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