ZnInHg
Alexandria ALEXAlex-ID: agm005603068 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_222_spg69
Zn In Hg
2023-06-18 15:30:00.929823
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603068).
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 agm005603068
data_agm005603068
_cell_length_a 5.44145
_cell_length_b 5.82273
_cell_length_c 5.81167
_cell_angle_alpha 75.88475
_cell_angle_beta 61.71854
_cell_angle_gamma 56.71820
_cell_volume 135.52787
_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
Zn1 Zn 0.99398 0.97232 0.59957 1.00000
Zn2 Zn 0.50544 0.97507 0.57752 1.00000
In1 In 0.38519 0.17668 0.09635 1.00000
In2 In 0.88772 0.47997 0.79720 1.00000
Hg1 Hg 0.58933 0.47449 0.41231 1.00000
Hg2 Hg 0.09373 0.79749 0.09065 1.00000
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