PaSi2Pt3
Alexandria ALEXAlex-ID: agm033821544 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1821_spg12
Pa(SiPt)2 PaSiPt3 SiPt2
2025-04-15 09:50:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033821544).
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 agm033821544
data_agm033821544
_cell_length_a 8.36957
_cell_length_b 8.36957
_cell_length_c 9.86552
_cell_angle_alpha 72.16228
_cell_angle_beta 107.83772
_cell_angle_gamma 151.83092
_cell_volume 309.54344
_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
Pa1 Pa 0.15478 0.84522 0.69603 1.00000
Pa2 Pa 0.84522 0.15478 0.30397 1.00000
Pa3 Pa 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.19672 0.80328 0.12197 1.00000
Si2 Si 0.80328 0.19672 0.87803 1.00000
Si3 Si 0.46724 0.53276 0.22119 1.00000
Si4 Si 0.53276 0.46724 0.77881 1.00000
Si5 Si 0.36391 0.63609 0.55630 1.00000
Si6 Si 0.63609 0.36391 0.44370 1.00000
Pt1 Pt 0.03876 0.96124 0.33515 1.00000
Pt2 Pt 0.96124 0.03876 0.66485 1.00000
Pt3 Pt 0.22708 0.77292 0.38481 1.00000
Pt4 Pt 0.77292 0.22708 0.61519 1.00000
Pt5 Pt 0.62224 0.37776 0.18965 1.00000
Pt6 Pt 0.37776 0.62224 0.81035 1.00000
Pt7 Pt 0.50000 0.50000 0.50000 1.00000
Pt8 Pt 0.32584 0.67416 0.05364 1.00000
Pt9 Pt 0.67416 0.32584 0.94636 1.00000
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