Na2CuHgH8
Alexandria ALEXAlex-ID: agm007430167 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_363_spg12
NaH7 Na2CuH3 Cu HgH4
2025-05-28 05:33:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007430167).
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 agm007430167
data_agm007430167
_cell_length_a 3.67955
_cell_length_b 5.53173
_cell_length_c 8.42205
_cell_angle_alpha 81.07816
_cell_angle_beta 90.06015
_cell_angle_gamma 90.66011
_cell_volume 169.33947
_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 0.49920 0.94974 0.69912 1.00000
Na2 Na 0.50080 0.05026 0.30088 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.00000 0.50000 0.50000 1.00000
H1 H 0.00139 0.10441 0.15856 1.00000
H2 H 0.39693 0.43711 0.83152 1.00000
H3 H 0.39765 0.55640 0.16485 1.00000
H4 H 0.99861 0.89559 0.84144 1.00000
H5 H 0.60307 0.56289 0.16848 1.00000
H6 H 0.60235 0.44360 0.83515 1.00000
H7 H 0.50407 0.71879 0.49797 1.00000
H8 H 0.49593 0.28121 0.50203 1.00000
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