SnH8PdPt2
Alexandria ALEXAlex-ID: agm007200541 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1168_spg12
H10Pt Sn2HPd6 H3Pt SnPt
2024-01-28 17:16:05.046444
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007200541).
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 agm007200541
data_agm007200541
_cell_length_a 4.59358
_cell_length_b 5.00110
_cell_length_c 5.54585
_cell_angle_alpha 102.12672
_cell_angle_beta 93.06394
_cell_angle_gamma 114.59754
_cell_volume 111.82674
_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
Sn1 Sn 0.50000 0.00000 0.50000 1.00000
H1 H 0.52840 0.71524 0.82263 1.00000
H2 H 0.26071 0.22558 0.79578 1.00000
H3 H 0.47160 0.28476 0.17737 1.00000
H4 H 0.12654 0.36137 0.41907 1.00000
H5 H 0.87346 0.63863 0.58093 1.00000
H6 H 0.16540 0.72914 0.03822 1.00000
H7 H 0.83460 0.27086 0.96178 1.00000
H8 H 0.73929 0.77442 0.20422 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.12474 0.48193 0.73826 1.00000
Pt2 Pt 0.87526 0.51807 0.26174 1.00000
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