Y6NiHg
Alexandria ALEXAlex-ID: agm003764580 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_206_spg148
Y3Ni Y10NiHg3 Y
2022-04-20 05:11:41.159116
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003764580).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003764580
data_agm003764580
_cell_length_a 6.88829
_cell_length_b 6.89688
_cell_length_c 7.31813
_cell_angle_alpha 61.97734
_cell_angle_beta 62.02525
_cell_angle_gamma 60.02072
_cell_volume 253.05576
_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
Y1 Y 0.04474 0.41707 0.75823 1.00000
Y2 Y 0.77967 0.04393 0.75808 1.00000
Y3 Y 0.58298 0.21972 0.24190 1.00000
Y4 Y 0.22033 0.95607 0.24192 1.00000
Y5 Y 0.95526 0.58293 0.24177 1.00000
Y6 Y 0.41702 0.78028 0.75810 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.50000 0.50000 0.50000 1.00000
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