Pa3(AlPt2)2
Alexandria ALEXAlex-ID: agm005646938 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_272_spg12
Pa3(AlPt2)2
2023-06-26 17:07:14.213021
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646938).
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 agm005646938
data_agm005646938
_cell_length_a 4.41289
_cell_length_b 5.89013
_cell_length_c 7.84060
_cell_angle_alpha 74.63890
_cell_angle_beta 73.65547
_cell_angle_gamma 68.00040
_cell_volume 178.38446
_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 0.37059 0.57584 0.68298 1.00000
Pa2 Pa 0.00000 0.00000 0.00000 1.00000
Pa3 Pa 0.62941 0.42416 0.31702 1.00000
Al1 Al 0.33131 0.99780 0.33958 1.00000
Al2 Al 0.66869 0.00220 0.66042 1.00000
Pt1 Pt 0.29006 0.34826 0.07161 1.00000
Pt2 Pt 0.70994 0.65174 0.92839 1.00000
Pt3 Pt 0.07270 0.24471 0.60988 1.00000
Pt4 Pt 0.92730 0.75529 0.39012 1.00000
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