Sm3(Cu2Hg)2
Alexandria ALEXAlex-ID: agm005606986 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_272_spg12
Sm3Hg4 Sm2Cu2Hg SmCu5
2023-06-26 23:49:15.012874
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606986).
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 agm005606986
data_agm005606986
_cell_length_a 4.45226
_cell_length_b 5.90391
_cell_length_c 8.69069
_cell_angle_alpha 113.14607
_cell_angle_beta 90.00000
_cell_angle_gamma 112.15168
_cell_volume 191.57990
_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 0.64743 0.29486 0.68796 1.00000
Sm2 Sm 0.00000 0.00000 0.00000 1.00000
Sm3 Sm 0.35257 0.70514 0.31204 1.00000
Cu1 Cu 0.73138 0.46276 0.05405 1.00000
Cu2 Cu 0.26862 0.53724 0.94595 1.00000
Cu3 Cu 0.93185 0.86370 0.58517 1.00000
Cu4 Cu 0.06815 0.13630 0.41483 1.00000
Hg1 Hg 0.64076 0.28152 0.30196 1.00000
Hg2 Hg 0.35924 0.71848 0.69804 1.00000
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