SmHg3Bi5
Alexandria ALEXAlex-ID: agm072673036 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_919_spg8
Bi Hg SmBi
2024-09-24 22:29:47.766199
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072673036).
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 agm072673036
data_agm072673036
_cell_length_a 6.22255
_cell_length_b 4.47797
_cell_length_c 10.83235
_cell_angle_alpha 94.26541
_cell_angle_beta 99.03119
_cell_angle_gamma 110.48083
_cell_volume 276.51147
_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 0.94727 0.03152 0.01570 1.00000
Hg1 Hg 0.51594 0.39355 0.47684 1.00000
Hg2 Hg 0.97916 0.99818 0.69395 1.00000
Hg3 Hg 0.78555 0.96873 0.29469 1.00000
Bi1 Bi 0.05904 0.50455 0.51059 1.00000
Bi2 Bi 0.29685 0.68538 0.87712 1.00000
Bi3 Bi 0.53394 0.31910 0.09131 1.00000
Bi4 Bi 0.67762 0.36305 0.79273 1.00000
Bi5 Bi 0.20462 0.73595 0.24708 1.00000
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