TaCuPt
Alexandria ALEXAlex-ID: agm005656105 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_285_spg43
Cu TaPt
2023-06-19 08:39:56.817119
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656105).
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 agm005656105
data_agm005656105
_cell_length_a 5.71200
_cell_length_b 4.78225
_cell_length_c 4.77267
_cell_angle_alpha 60.09786
_cell_angle_beta 125.86086
_cell_angle_gamma 106.96706
_cell_volume 91.59280
_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
Ta1 Ta 0.86648 0.55600 0.58426 1.00000
Ta2 Ta 0.36647 0.57117 0.57654 1.00000
Cu1 Cu 0.36637 0.90928 0.90742 1.00000
Cu2 Cu 0.86657 0.21789 0.25338 1.00000
Pt1 Pt 0.86637 0.88706 0.91881 1.00000
Pt2 Pt 0.36657 0.24011 0.24198 1.00000
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