Na7CdHg3
Alexandria ALEXAlex-ID: agm005994508 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_166_spg63
Na3Hg2 Na8Hg3 NaCd2
2023-08-13 22:18:55.304408
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994508).
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 agm005994508
data_agm005994508
_cell_length_a 3.51643
_cell_length_b 13.14352
_cell_length_c 13.76458
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 97.68752
_cell_volume 630.45665
_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 0.39990 0.79979 0.75000 1.00000
Na2 Na 0.60010 0.20021 0.25000 1.00000
Na3 Na 0.48134 0.96268 0.38510 1.00000
Na4 Na 0.51866 0.03732 0.61490 1.00000
Na5 Na 0.51866 0.03732 0.88510 1.00000
Na6 Na 0.48134 0.96268 0.11490 1.00000
Na7 Na 0.34206 0.68413 0.41646 1.00000
Na8 Na 0.65794 0.31587 0.58354 1.00000
Na9 Na 0.20638 0.41277 0.38020 1.00000
Na10 Na 0.79362 0.58723 0.61980 1.00000
Na11 Na 0.79362 0.58723 0.88020 1.00000
Na12 Na 0.20638 0.41277 0.11980 1.00000
Na13 Na 0.34206 0.68413 0.08354 1.00000
Na14 Na 0.65794 0.31587 0.91646 1.00000
Cd1 Cd 0.90090 0.80180 0.25000 1.00000
Cd2 Cd 0.09910 0.19820 0.75000 1.00000
Hg1 Hg 0.08319 0.16639 0.44741 1.00000
Hg2 Hg 0.91681 0.83361 0.55259 1.00000
Hg3 Hg 0.21602 0.43203 0.75000 1.00000
Hg4 Hg 0.78398 0.56797 0.25000 1.00000
Hg5 Hg 0.08319 0.16639 0.05259 1.00000
Hg6 Hg 0.91681 0.83361 0.94741 1.00000
