Ni2HgH4
Alexandria ALEXAlex-ID: agm096155975 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_22_spg12
HgH4 Hg NiH
2025-04-10 20:06:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096155975).
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 agm096155975
data_agm096155975
_cell_length_a 2.64677
_cell_length_b 4.34738
_cell_length_c 6.94541
_cell_angle_alpha 99.76549
_cell_angle_beta 89.02266
_cell_angle_gamma 90.06822
_cell_volume 78.74780
_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
Ni1 Ni 0.98282 0.96713 0.71976 1.00000
Ni2 Ni 0.48213 0.46625 0.70899 1.00000
Hg1 Hg 0.10566 0.19966 0.21401 1.00000
H1 H 0.48808 0.09176 0.59942 1.00000
H2 H 0.98721 0.60160 0.59157 1.00000
H3 H 0.97662 0.34187 0.82974 1.00000
H4 H 0.47749 0.83173 0.83653 1.00000
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