Ti2Cu5Au2
Alexandria ALEXAlex-ID: agm009852764 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_220_spg12
Cu TiAu
2024-04-20 03:00:28.856817
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009852764).
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 agm009852764
data_agm009852764
_cell_length_a 6.09116
_cell_length_b 6.09116
_cell_length_c 6.00907
_cell_angle_alpha 72.18262
_cell_angle_beta 72.18262
_cell_angle_gamma 37.73546
_cell_volume 129.11857
_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
Ti1 Ti 0.56131 0.56131 0.67000 1.00000
Ti2 Ti 0.43869 0.43869 0.33000 1.00000
Cu1 Cu 0.66262 0.66262 0.00226 1.00000
Cu2 Cu 0.33738 0.33738 0.99774 1.00000
Cu3 Cu 0.78210 0.78210 0.31553 1.00000
Cu4 Cu 0.21790 0.21790 0.68447 1.00000
Cu5 Cu 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.88161 0.88161 0.67408 1.00000
Au2 Au 0.11839 0.11839 0.32592 1.00000
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