SmY4Hg
Alexandria ALEXAlex-ID: agm003751122 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1218_spg15
SmY2 Y2Hg
2022-04-19 09:46:03.600471
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003751122).
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 agm003751122
data_agm003751122
_cell_length_a 6.37160
_cell_length_b 8.96049
_cell_length_c 8.31208
_cell_angle_alpha 113.23777
_cell_angle_beta 100.37685
_cell_angle_gamma 112.14189
_cell_volume 372.53998
_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
Sm1 Sm 0.35490 0.60490 0.20980 1.00000
Sm2 Sm 0.64510 0.39510 0.79020 1.00000
Y1 Y 0.03949 0.17800 0.78845 1.00000
Y2 Y 0.76421 0.71264 0.62455 1.00000
Y3 Y 0.24896 0.61045 0.78845 1.00000
Y4 Y 0.36034 0.91191 0.62455 1.00000
Y5 Y 0.63966 0.08809 0.37545 1.00000
Y6 Y 0.75104 0.38955 0.21155 1.00000
Y7 Y 0.23579 0.28736 0.37545 1.00000
Y8 Y 0.96051 0.82200 0.21155 1.00000
Hg1 Hg 0.24969 0.99969 0.99939 1.00000
Hg2 Hg 0.75031 0.00031 0.00061 1.00000
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