CuSi(H4Pt)2
Alexandria ALEXAlex-ID: agm007752871 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_466_spg2
SiH20 Cu3Pt CuPt SiPt2
2024-02-08 00:22:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007752871).
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 agm007752871
data_agm007752871
_cell_length_a 3.92597
_cell_length_b 5.03822
_cell_length_c 7.11612
_cell_angle_alpha 69.09092
_cell_angle_beta 76.48895
_cell_angle_gamma 70.97480
_cell_volume 123.20346
_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
Si1 Si 0.00000 0.50000 0.50000 1.00000
H1 H 0.18893 0.95846 0.37988 1.00000
H2 H 0.63232 0.01120 0.17738 1.00000
H3 H 0.81107 0.04154 0.62012 1.00000
H4 H 0.37220 0.73271 0.08210 1.00000
H5 H 0.62780 0.26729 0.91790 1.00000
H6 H 0.82068 0.44256 0.21127 1.00000
H7 H 0.17932 0.55744 0.78873 1.00000
H8 H 0.36768 0.98880 0.82262 1.00000
Pt1 Pt 0.50571 0.69683 0.30047 1.00000
Pt2 Pt 0.49429 0.30317 0.69953 1.00000
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