PrYPt
Alexandria ALEXAlex-ID: agm003599535 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2239_spg12
Y5Pt3 Y2Pt Pr7Pt3
2022-03-10 06:59:48.028731
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003599535).
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 agm003599535
data_agm003599535
_cell_length_a 3.57500
_cell_length_b 7.32070
_cell_length_c 6.88566
_cell_angle_alpha 106.54765
_cell_angle_beta 105.10872
_cell_angle_gamma 89.92799
_cell_volume 166.25387
_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 0.30771 0.48639 0.38048 1.00000
Pr2 Pr 0.57020 0.61755 0.90838 1.00000
Y1 Y 0.57119 0.11420 0.90852 1.00000
Y2 Y 0.30658 0.98972 0.38030 1.00000
Pt1 Pt 0.94658 0.28085 0.66106 1.00000
Pt2 Pt 0.93123 0.82308 0.62778 1.00000
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