PuIn2Au3
Alexandria ALEXAlex-ID: agm017255678 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4598_spg15
In2Au PuAu2
2025-04-15 05:45:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017255678).
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 agm017255678
data_agm017255678
_cell_length_a 4.78841
_cell_length_b 4.78841
_cell_length_c 13.47732
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 267.61900
_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
Pu1 Pu 0.00000 0.00000 0.25000 1.00000
Pu2 Pu 0.00000 0.00000 0.75000 1.00000
In1 In 0.66667 0.33333 0.41507 1.00000
In2 In 0.33333 0.66667 0.58493 1.00000
In3 In 0.33333 0.66667 0.91507 1.00000
In4 In 0.66667 0.33333 0.08493 1.00000
Au1 Au 0.00000 0.00000 0.50000 1.00000
Au2 Au 0.00000 0.00000 0.00000 1.00000
Au3 Au 0.66667 0.33333 0.64262 1.00000
Au4 Au 0.33333 0.66667 0.14262 1.00000
Au5 Au 0.66667 0.33333 0.85738 1.00000
Au6 Au 0.33333 0.66667 0.35738 1.00000
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