SmZn5Ag7
Alexandria ALEXAlex-ID: agm003679639 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_45_spg44
SmZn5Ag7
2022-04-10 08:41:59.246582
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003679639).
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 agm003679639
data_agm003679639
_cell_length_a 5.25343
_cell_length_b 7.09581
_cell_length_c 7.09581
_cell_angle_alpha 82.15604
_cell_angle_beta 68.87844
_cell_angle_gamma 68.87844
_cell_volume 230.15915
_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 0.99768 0.00269 0.00269 1.00000
Zn1 Zn 0.50270 0.99633 0.49941 1.00000
Zn2 Zn 0.00134 0.99626 0.50021 1.00000
Zn3 Zn 0.50270 0.49941 0.99633 1.00000
Zn4 Zn 0.00134 0.50021 0.99626 1.00000
Zn5 Zn 0.71890 0.78004 0.78004 1.00000
Ag1 Ag 0.65188 0.35252 0.35252 1.00000
Ag2 Ag 0.33823 0.65870 0.65870 1.00000
Ag3 Ag 0.99876 0.34781 0.65348 1.00000
Ag4 Ag 0.99876 0.65348 0.34781 1.00000
Ag5 Ag 0.28169 0.22020 0.22020 1.00000
Ag6 Ag 0.50302 0.78795 0.20442 1.00000
Ag7 Ag 0.50302 0.20442 0.78795 1.00000
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