Pm2Al3Au5
Alexandria ALEXAlex-ID: agm003343554 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_91_spg72
Pm3Al3Au8 Pm2(AlAu3)3 Pm(AlAu)2
2022-01-30 08:16:31.948928
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003343554).
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 agm003343554
data_agm003343554
_cell_length_a 6.24267
_cell_length_b 8.77113
_cell_length_c 8.77113
_cell_angle_alpha 76.31643
_cell_angle_beta 69.15356
_cell_angle_gamma 69.15356
_cell_volume 416.10975
_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
Pm1 Pm 0.13376 0.59773 0.13475 1.00000
Pm2 Pm 0.63376 0.13475 0.59773 1.00000
Pm3 Pm 0.86624 0.40227 0.86525 1.00000
Pm4 Pm 0.36624 0.86525 0.40227 1.00000
Al1 Al 0.36726 0.51874 0.74673 1.00000
Al2 Al 0.86726 0.74673 0.51874 1.00000
Al3 Al 0.63274 0.48126 0.25327 1.00000
Al4 Al 0.13274 0.25327 0.48126 1.00000
Al5 Al 0.25000 0.00000 0.00000 1.00000
Al6 Al 0.75000 0.00000 0.00000 1.00000
Au1 Au 0.40012 0.25925 0.94052 1.00000
Au2 Au 0.90012 0.94052 0.25925 1.00000
Au3 Au 0.59988 0.74075 0.05948 1.00000
Au4 Au 0.09988 0.05948 0.74075 1.00000
Au5 Au 0.48440 0.76560 0.76560 1.00000
Au6 Au 0.51560 0.23440 0.23440 1.00000
Au7 Au 0.75000 0.50000 0.50000 1.00000
Au8 Au 0.25000 0.50000 0.50000 1.00000
Au9 Au 0.01560 0.23440 0.23440 1.00000
Au10 Au 0.98440 0.76560 0.76560 1.00000
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