SiH8Pd2Pt
Alexandria ALEXAlex-ID: agm007752839 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_373_spg2
SiPdPt H4Pd SiH20 SiPt2
2024-10-22 10:18:21.317062
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007752839).
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 agm007752839
data_agm007752839
_cell_length_a 4.14925
_cell_length_b 4.82074
_cell_length_c 6.53470
_cell_angle_alpha 57.46852
_cell_angle_beta 86.82890
_cell_angle_gamma 84.75874
_cell_volume 109.73759
_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
Si1 Si 0.00000 0.50000 0.50000 1.00000
H1 H 0.32257 0.17289 0.40727 1.00000
H2 H 0.22456 0.16158 0.12156 1.00000
H3 H 0.67743 0.82711 0.59273 1.00000
H4 H 0.69734 0.15258 0.11053 1.00000
H5 H 0.30266 0.84742 0.88947 1.00000
H6 H 0.00041 0.58984 0.16839 1.00000
H7 H 0.99959 0.41016 0.83161 1.00000
H8 H 0.77544 0.83842 0.87844 1.00000
Pd1 Pd 0.46666 0.85015 0.35944 1.00000
Pd2 Pd 0.53334 0.14985 0.64056 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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