PrSiPt
Alexandria ALEXAlex-ID: agm003201429 · Space group: I4_1md (#109)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_13_spg8
PrSiPt
2021-12-03 05:21:09.196191
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003201429).
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
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# CIF generated by HEAS from Alexandria entry agm003201429
data_agm003201429
_cell_length_a 7.85308
_cell_length_b 7.85308
_cell_length_c 7.85308
_cell_angle_alpha 148.62143
_cell_angle_beta 148.62143
_cell_angle_gamma 44.96884
_cell_volume 130.89479
_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
Pr1 Pr 0.74884 0.24884 0.50000 1.00000
Pr2 Pr 0.99884 0.99884 0.00000 1.00000
Si1 Si 0.16844 0.66844 0.50000 1.00000
Si2 Si 0.41844 0.41844 0.00000 1.00000
Pt1 Pt 0.33671 0.83671 0.50000 1.00000
Pt2 Pt 0.58671 0.58671 0.00000 1.00000
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