Sc6CuOs2Au3
Alexandria ALEXAlex-ID: agm045344568 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_407_spg2
Sc6CuOs2Au3
2024-10-02 03:51:41.499017
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045344568).
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 agm045344568
data_agm045344568
_cell_length_a 7.39027
_cell_length_b 7.39027
_cell_length_c 8.16881
_cell_angle_alpha 57.13833
_cell_angle_beta 57.13833
_cell_angle_gamma 36.86702
_cell_volume 219.56589
_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 0.09173 0.09173 0.73184 1.00000
Sc2 Sc 0.24604 0.24604 0.26908 1.00000
Sc3 Sc 0.90827 0.90827 0.26816 1.00000
Sc4 Sc 0.42160 0.42160 0.73356 1.00000
Sc5 Sc 0.75396 0.75396 0.73092 1.00000
Sc6 Sc 0.57840 0.57840 0.26644 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
Os1 Os 0.66490 0.66490 0.50024 1.00000
Os2 Os 0.33510 0.33510 0.49976 1.00000
Au1 Au 0.83543 0.83543 0.99428 1.00000
Au2 Au 0.16457 0.16457 0.00572 1.00000
Au3 Au 0.50000 0.50000 0.00000 1.00000
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