NaCeHg4
Alexandria ALEXAlex-ID: agm013267909 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_315_spg82
NaHg2 CeHg2
2025-04-14 12:05:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013267909).
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 agm013267909
data_agm013267909
_cell_length_a 6.13333
_cell_length_b 6.13333
_cell_length_c 6.13333
_cell_angle_alpha 130.55675
_cell_angle_beta 107.28899
_cell_angle_gamma 93.01559
_cell_volume 157.46964
_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 0.00000 1.00000
Ce1 Ce 0.50000 0.00000 0.50000 1.00000
Hg1 Hg 0.55496 0.32836 0.22660 1.00000
Hg2 Hg 0.89825 0.67164 0.22660 1.00000
Hg3 Hg 0.44504 0.67164 0.77340 1.00000
Hg4 Hg 0.10175 0.32836 0.77340 1.00000
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