Sc(Zn2Ag)2
Alexandria ALEXAlex-ID: agm005963293 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1072_spg1
ZnAg2 Sc2Zn3Ag4 ScZn6
2023-10-15 21:33:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963293).
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 agm005963293
data_agm005963293
_cell_length_a 6.11253
_cell_length_b 6.11494
_cell_length_c 7.70337
_cell_angle_alpha 108.39893
_cell_angle_beta 108.37044
_cell_angle_gamma 101.82169
_cell_volume 244.03571
_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
Sc1 Sc 0.35450 0.64541 0.50006 1.00000
Sc2 Sc 0.10414 0.89578 0.99991 1.00000
Zn1 Zn 0.94233 0.21379 0.27813 1.00000
Zn2 Zn 0.11925 0.41173 0.05324 1.00000
Zn3 Zn 0.78578 0.05796 0.72183 1.00000
Zn4 Zn 0.31755 0.10936 0.44685 1.00000
Zn5 Zn 0.89069 0.68310 0.55327 1.00000
Zn6 Zn 0.58807 0.88110 0.94668 1.00000
Zn7 Zn 0.91565 0.68720 0.22320 1.00000
Zn8 Zn 0.31293 0.08499 0.77700 1.00000
Ag1 Ag 0.67668 0.46728 0.78532 1.00000
Ag2 Ag 0.53311 0.32302 0.21506 1.00000
Ag3 Ag 0.14239 0.43273 0.71582 1.00000
Ag4 Ag 0.56693 0.85655 0.28364 1.00000
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