SiAs2H2Pt7
Alexandria ALEXAlex-ID: agm006624136 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_412_spg2
As2Pt SiPt2 Pt H3Pt
2024-02-27 06:16:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006624136).
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 agm006624136
data_agm006624136
_cell_length_a 3.63894
_cell_length_b 4.99975
_cell_length_c 11.21727
_cell_angle_alpha 81.76142
_cell_angle_beta 85.37686
_cell_angle_gamma 66.08214
_cell_volume 184.57702
_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 0.00000 0.00000 1.00000
As1 As 0.40599 0.04005 0.35860 1.00000
As2 As 0.59401 0.95995 0.64140 1.00000
H1 H 0.26130 0.51083 0.75862 1.00000
H2 H 0.73870 0.48917 0.24138 1.00000
Pt1 Pt 0.50000 0.50000 0.00000 1.00000
Pt2 Pt 0.04801 0.74238 0.45196 1.00000
Pt3 Pt 0.95199 0.25762 0.54804 1.00000
Pt4 Pt 0.23718 0.50952 0.23621 1.00000
Pt5 Pt 0.49342 0.95319 0.13702 1.00000
Pt6 Pt 0.50658 0.04681 0.86298 1.00000
Pt7 Pt 0.76282 0.49048 0.76379 1.00000
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