Sc3(CuAg2)2
Alexandria ALEXAlex-ID: agm005686265 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_422_spg15
ScCu2 ScAg2
2023-06-28 04:47:16.506493
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686265).
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 agm005686265
data_agm005686265
_cell_length_a 4.98219
_cell_length_b 8.32953
_cell_length_c 8.32953
_cell_angle_alpha 74.54876
_cell_angle_beta 82.05554
_cell_angle_gamma 82.05556
_cell_volume 328.11204
_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 0.08025 0.95735 0.69752 1.00000
Sc2 Sc 0.41975 0.30248 0.04265 1.00000
Sc3 Sc 0.91975 0.04265 0.30248 1.00000
Sc4 Sc 0.58025 0.69752 0.95735 1.00000
Sc5 Sc 0.25000 0.38460 0.61540 1.00000
Sc6 Sc 0.75000 0.61540 0.38460 1.00000
Cu1 Cu 0.18827 0.73310 0.47073 1.00000
Cu2 Cu 0.31173 0.52927 0.26690 1.00000
Cu3 Cu 0.81173 0.26690 0.52927 1.00000
Cu4 Cu 0.68827 0.47073 0.73310 1.00000
Ag1 Ag 0.52743 0.07048 0.81434 1.00000
Ag2 Ag 0.97257 0.18566 0.92952 1.00000
Ag3 Ag 0.47257 0.92952 0.18566 1.00000
Ag4 Ag 0.02743 0.81434 0.07048 1.00000
Ag5 Ag 0.63351 0.83076 0.59774 1.00000
Ag6 Ag 0.86649 0.40226 0.16924 1.00000
Ag7 Ag 0.36649 0.16924 0.40226 1.00000
Ag8 Ag 0.13351 0.59774 0.83076 1.00000
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