ThZn2HgH8
Alexandria ALEXAlex-ID: agm007603729 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_37_spg148
ZnH2 Th4H15 Zn HgH4
2025-05-27 08:58:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007603729).
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 agm007603729
data_agm007603729
_cell_length_a 4.37885
_cell_length_b 4.37870
_cell_length_c 9.38681
_cell_angle_alpha 91.04564
_cell_angle_beta 102.90450
_cell_angle_gamma 120.07804
_cell_volume 149.99177
_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
Th1 Th 0.00000 0.50000 0.50000 1.00000
Zn1 Zn 0.47815 0.24851 0.71877 1.00000
Zn2 Zn 0.52185 0.75149 0.28123 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
H1 H 0.33607 0.16833 0.50448 1.00000
H2 H 0.86987 0.59096 0.71748 1.00000
H3 H 0.66393 0.83167 0.49552 1.00000
H4 H 0.42930 0.85672 0.71851 1.00000
H5 H 0.57070 0.14328 0.28149 1.00000
H6 H 0.13523 0.29734 0.71838 1.00000
H7 H 0.86477 0.70266 0.28162 1.00000
H8 H 0.13013 0.40904 0.28252 1.00000
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