Dy(NiHg3)2
Alexandria ALEXAlex-ID: agm097696540 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_675_spg12
DyNi4Hg DyHg3 Hg
2025-04-07 03:17:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097696540).
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 agm097696540
data_agm097696540
_cell_length_a 4.36904
_cell_length_b 5.30661
_cell_length_c 9.48118
_cell_angle_alpha 93.36448
_cell_angle_beta 98.86999
_cell_angle_gamma 92.98423
_cell_volume 216.39981
_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
Dy1 Dy 0.51121 0.29069 0.23914 1.00000
Ni1 Ni 0.95388 0.98605 0.16910 1.00000
Ni2 Ni 0.07485 0.20504 0.40968 1.00000
Hg1 Hg 0.93957 0.30727 0.96707 1.00000
Hg2 Hg 0.18253 0.41743 0.67925 1.00000
Hg3 Hg 0.06655 0.69543 0.38457 1.00000
Hg4 Hg 0.75839 0.78025 0.80340 1.00000
Hg5 Hg 0.40092 0.76690 0.05019 1.00000
Hg6 Hg 0.61209 0.05093 0.54759 1.00000
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