Pa3Al7Pt4
Alexandria ALEXAlex-ID: agm005695854 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_8_spg12
Pa2Al3Pt Pa(Al2Pt)2 Pa3(AlPt)4
2023-06-29 15:57:53.352012
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695854).
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 agm005695854
data_agm005695854
_cell_length_a 4.24266
_cell_length_b 8.11397
_cell_length_c 8.42945
_cell_angle_alpha 69.78611
_cell_angle_beta 75.42444
_cell_angle_gamma 74.84439
_cell_volume 258.63613
_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 0.31056 0.18933 0.18956 1.00000
Pa2 Pa 0.68944 0.81067 0.81044 1.00000
Pa3 Pa 0.00000 0.50000 0.50000 1.00000
Al1 Al 0.32015 0.83396 0.52575 1.00000
Al2 Al 0.49583 0.21357 0.79476 1.00000
Al3 Al 0.84243 0.38585 0.92928 1.00000
Al4 Al 0.67985 0.16604 0.47425 1.00000
Al5 Al 0.15757 0.61415 0.07072 1.00000
Al6 Al 0.00000 0.00000 0.00000 1.00000
Al7 Al 0.50417 0.78643 0.20524 1.00000
Pt1 Pt 0.65424 0.45989 0.23164 1.00000
Pt2 Pt 0.34576 0.54011 0.76836 1.00000
Pt3 Pt 0.87938 0.89715 0.34409 1.00000
Pt4 Pt 0.12062 0.10285 0.65591 1.00000
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