ErPuAu6
Alexandria ALEXAlex-ID: agm005828126 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_40_spg166
ErAu4 PuAu2
2023-07-24 20:24:59.600456
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005828126).
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 agm005828126
data_agm005828126
_cell_length_a 4.86816
_cell_length_b 4.88379
_cell_length_c 8.52247
_cell_angle_alpha 89.83104
_cell_angle_beta 73.40530
_cell_angle_gamma 60.10572
_cell_volume 165.96009
_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
Er1 Er 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.00000 0.50000 0.50000 1.00000
Au1 Au 0.24381 0.87808 0.63432 1.00000
Au2 Au 0.50157 0.24808 0.74879 1.00000
Au3 Au 0.25295 0.37452 0.11955 1.00000
Au4 Au 0.49843 0.75192 0.25121 1.00000
Au5 Au 0.75619 0.12192 0.36568 1.00000
Au6 Au 0.74705 0.62548 0.88045 1.00000
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