NaNp(CdHg2)2
Alexandria ALEXAlex-ID: agm017166918 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
NaHg3 Hg Cd Np
2025-02-07 10:04:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017166918).
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
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# CIF generated by HEAS from Alexandria entry agm017166918
data_agm017166918
_cell_length_a 5.14529
_cell_length_b 5.14529
_cell_length_c 8.88317
_cell_angle_alpha 73.83119
_cell_angle_beta 106.16881
_cell_angle_gamma 119.83225
_cell_volume 193.15641
_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 0.00000 0.00000 0.50000 1.00000
Np1 Np 0.50000 0.50000 0.00000 1.00000
Cd1 Cd 0.24644 0.75356 0.24513 1.00000
Cd2 Cd 0.75356 0.24644 0.75487 1.00000
Hg1 Hg 0.62700 0.37300 0.38241 1.00000
Hg2 Hg 0.12380 0.87620 0.86771 1.00000
Hg3 Hg 0.87620 0.12380 0.13229 1.00000
Hg4 Hg 0.37300 0.62700 0.61759 1.00000
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