Li(Cu2Pt)6
Alexandria ALEXAlex-ID: agm006121908 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_35_spg148
LiCuPt2 Cu3Pt CuPt
2023-08-25 22:55:19.165266
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006121908).
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 agm006121908
data_agm006121908
_cell_length_a 6.79599
_cell_length_b 6.79599
_cell_length_c 6.79599
_cell_angle_alpha 106.45245
_cell_angle_beta 106.45244
_cell_angle_gamma 106.45244
_cell_volume 265.20630
_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
Li1 Li 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.47771 0.18888 0.58930 1.00000
Cu2 Cu 0.18888 0.58930 0.47771 1.00000
Cu3 Cu 0.58930 0.47771 0.18888 1.00000
Cu4 Cu 0.52229 0.81112 0.41070 1.00000
Cu5 Cu 0.81112 0.41070 0.52229 1.00000
Cu6 Cu 0.41070 0.52229 0.81112 1.00000
Cu7 Cu 0.27899 0.14595 0.84250 1.00000
Cu8 Cu 0.15750 0.72101 0.85405 1.00000
Cu9 Cu 0.85405 0.15750 0.72101 1.00000
Cu10 Cu 0.72101 0.85405 0.15750 1.00000
Cu11 Cu 0.84250 0.27899 0.14595 1.00000
Cu12 Cu 0.14595 0.84250 0.27899 1.00000
Pt1 Pt 0.07885 0.19379 0.46623 1.00000
Pt2 Pt 0.80622 0.53377 0.92115 1.00000
Pt3 Pt 0.53377 0.92115 0.80622 1.00000
Pt4 Pt 0.92115 0.80622 0.53377 1.00000
Pt5 Pt 0.19379 0.46623 0.07885 1.00000
Pt6 Pt 0.46623 0.07885 0.19379 1.00000
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