Sc3(Cu2Au)2
Alexandria ALEXAlex-ID: agm005695053 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_422_spg15
Sc2Cu7 Cu ScAu
2023-06-28 04:56:05.931405
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695053).
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 agm005695053
data_agm005695053
_cell_length_a 4.85387
_cell_length_b 8.11057
_cell_length_c 8.11058
_cell_angle_alpha 75.30424
_cell_angle_beta 81.96997
_cell_angle_gamma 81.97009
_cell_volume 304.00390
_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 0.09472 0.96224 0.71089 1.00000
Sc2 Sc 0.40528 0.28911 0.03776 1.00000
Sc3 Sc 0.90528 0.03776 0.28911 1.00000
Sc4 Sc 0.59472 0.71089 0.96224 1.00000
Sc5 Sc 0.25000 0.37784 0.62216 1.00000
Sc6 Sc 0.75000 0.62216 0.37784 1.00000
Cu1 Cu 0.53300 0.07291 0.82750 1.00000
Cu2 Cu 0.96700 0.17250 0.92709 1.00000
Cu3 Cu 0.46700 0.92709 0.17250 1.00000
Cu4 Cu 0.03300 0.82750 0.07291 1.00000
Cu5 Cu 0.20328 0.73860 0.46660 1.00000
Cu6 Cu 0.29672 0.53340 0.26140 1.00000
Cu7 Cu 0.79672 0.26140 0.53340 1.00000
Cu8 Cu 0.70328 0.46660 0.73860 1.00000
Au1 Au 0.65523 0.84086 0.60361 1.00000
Au2 Au 0.84477 0.39639 0.15914 1.00000
Au3 Au 0.34477 0.15914 0.39639 1.00000
Au4 Au 0.15523 0.60361 0.84086 1.00000
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