Sm3Cu2Hg
Alexandria ALEXAlex-ID: agm005779797 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_391_spg164
SmCu SmHg
2023-08-17 13:29:37.720710
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779797).
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 agm005779797
data_agm005779797
_cell_length_a 5.14125
_cell_length_b 5.14125
_cell_length_c 12.65508
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 289.68981
_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 0.33333 0.66667 0.41699 1.00000
Sm2 Sm 0.66667 0.33333 0.07178 1.00000
Sm3 Sm 0.00000 0.00000 0.76316 1.00000
Sm4 Sm 0.00000 0.00000 0.23684 1.00000
Sm5 Sm 0.33333 0.66667 0.92822 1.00000
Sm6 Sm 0.66667 0.33333 0.58301 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
Cu2 Cu 0.33333 0.66667 0.16853 1.00000
Cu3 Cu 0.66667 0.33333 0.83147 1.00000
Cu4 Cu 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.33333 0.66667 0.67300 1.00000
Hg2 Hg 0.66667 0.33333 0.32700 1.00000
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