Sc2Cd3Ag2
Alexandria ALEXAlex-ID: agm009036770 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_1677_spg166
ScCd3 ScAg2
2024-05-05 10:44:25.777064
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009036770).
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 agm009036770
data_agm009036770
_cell_length_a 4.83240
_cell_length_b 4.83240
_cell_length_c 7.61972
_cell_angle_alpha 71.52149
_cell_angle_beta 71.52149
_cell_angle_gamma 59.97091
_cell_volume 143.36801
_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 0.92282 0.92282 0.73111 1.00000
Sc2 Sc 0.07718 0.07718 0.26889 1.00000
Cd1 Cd 0.50000 0.50000 0.00000 1.00000
Cd2 Cd 0.65035 0.65035 0.54875 1.00000
Cd3 Cd 0.34965 0.34965 0.45125 1.00000
Ag1 Ag 0.78913 0.78913 0.13368 1.00000
Ag2 Ag 0.21087 0.21087 0.86632 1.00000
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