Cu(SnPt3)2
Alexandria ALEXAlex-ID: agm003487635 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_675_spg12
Cu3SnPt4 SnPt3 SnPt
2022-02-24 12:01:03.094513
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003487635).
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 agm003487635
data_agm003487635
_cell_length_a 6.05653
_cell_length_b 5.53562
_cell_length_c 5.53562
_cell_angle_alpha 59.74501
_cell_angle_beta 78.88235
_cell_angle_gamma 78.88235
_cell_volume 156.29768
_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
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.84318 0.66115 0.66115 1.00000
Sn2 Sn 0.15682 0.33885 0.33885 1.00000
Pt1 Pt 0.28066 0.34348 0.82539 1.00000
Pt2 Pt 0.38305 0.81545 0.81545 1.00000
Pt3 Pt 0.28066 0.82539 0.34348 1.00000
Pt4 Pt 0.71934 0.65652 0.17461 1.00000
Pt5 Pt 0.61695 0.18455 0.18455 1.00000
Pt6 Pt 0.71934 0.17461 0.65652 1.00000
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